UCSF

ZINC33784016

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 28 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) 6.85 12.34 -8.22 1 4 0 50 428.344 3
Hi High (pH 8-9.5) 7.30 10.3 -48.53 0 4 -1 53 427.336 3
Hi High (pH 8-9.5) 7.30 10.77 -46.41 0 4 -1 53 427.336 3

Activity (Go SEA)

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