UCSF

ZINC32818037

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 30 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) 2.70 6.96 -27.1 2 8 0 97 406.442 7
Mid Mid (pH 6-8) 2.70 7.16 -52.2 3 8 1 98 407.45 7

Activity (Go SEA)

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