UCSF

ZINC34573953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 2.15 5.57 -8.33 1 3 0 42 210.236 1
Mid Mid (pH 6-8) 3.11 4.3 -43.38 1 3 -1 52 209.228 1

Activity (Go SEA)

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