UCSF

ZINC45647463

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 0.11 1.99 -8.16 2 5 0 82 221.26 4
Hi High (pH 8-9.5) 0.30 0.7 -39.9 1 5 -1 88 220.252 4

Activity (Go SEA)

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