UCSF

ZINC32576960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 30 No

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) 3.51 9.95 -46.53 2 7 1 75 429.928 8
Hi High (pH 8-9.5) 3.51 7.72 -16.7 1 7 0 74 428.92 8
Mid Mid (pH 6-8) 3.51 10 -42.57 2 7 1 75 429.928 8

Activity (Go SEA)

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