UCSF

ZINC36601989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2009 26 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) -0.10 2.12 -48.31 4 8 1 110 356.406 7
Mid Mid (pH 6-8) -0.10 1.61 -20.97 3 8 0 109 355.398 7

Activity (Go SEA)

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