UCSF

ZINC37038410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.09 4.97 -47.91 3 4 1 51 284.468 9
Mid Mid (pH 6-8) 2.09 7.18 -109.41 4 4 2 52 285.476 9

Activity (Go SEA)

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