UCSF

ZINC41154991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 1.75 0.33 -51.36 2 6 -1 101 227.203 1
Mid Mid (pH 6-8) 1.29 2.44 -16 3 6 0 98 228.211 1

Activity (Go SEA)

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