UCSF

ZINC00319930

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 4.12 10.71 -10.75 1 4 0 42 306.413 3
Mid Mid (pH 6-8) 4.12 11.16 -23.79 2 4 1 43 307.421 3

Activity (Go SEA)

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