UCSF

ZINC06270037

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 2.43 -55.27 1 5 -1 77 236.276 3
Mid Mid (pH 6-8) 1.43 2.46 -12.8 2 5 0 75 237.284 3
Mid Mid (pH 6-8) 1.35 2.8 -53.51 0 5 -1 73 236.276 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )