UCSF

ZINC36732076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) -0.24 1.14 -43.66 4 4 1 60 212.317 7
Mid Mid (pH 6-8) -0.24 2.7 -34.17 4 4 1 60 212.317 7

Activity (Go SEA)

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