UCSF

ZINC34678146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 24 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) 1.13 2.57 -42.25 2 7 1 76 333.412 7
Mid Mid (pH 6-8) 1.13 2.59 -45.11 2 7 1 76 333.412 7
Mid Mid (pH 6-8) 1.13 0.31 -8.74 1 7 0 75 332.404 7

Activity (Go SEA)

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