UCSF

ZINC30109145

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2009 28 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) 2.13 5 -10.62 0 7 0 60 384.432 5
Mid Mid (pH 6-8) 2.13 7.3 -45.32 1 7 1 62 385.44 5

Activity (Go SEA)

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