UCSF

ZINC34678576

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 0.92 7.1 -52.8 3 9 1 101 441.556 8
Hi High (pH 8-9.5) 1.10 4.7 -46.7 2 9 0 107 440.548 8

Activity (Go SEA)

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