UCSF

ZINC34526997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 5.25 9.2 -15.23 2 7 0 94 488.565 9
Hi High (pH 8-9.5) 5.25 9.22 -47.71 1 7 -1 96 487.557 9

Activity (Go SEA)

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