UCSF

ZINC34686280

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 1.89 7.19 -16.76 0 8 0 72 502.011 8
Mid Mid (pH 6-8) 1.89 9.46 -57.76 1 8 1 73 503.019 8

Activity (Go SEA)

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