UCSF

ZINC45688599

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.81 7.76 -89.59 3 3 2 24 285.52 8
Hi High (pH 8-9.5) 3.81 5.29 -33.36 2 3 1 23 284.512 8

Activity (Go SEA)

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