UCSF

ZINC34526981

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 3.79 5.94 -12.76 2 7 0 90 385.445 7
Hi High (pH 8-9.5) 3.79 5.85 -49.46 1 7 -1 92 384.437 7

Activity (Go SEA)

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