UCSF

ZINC44693749

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.50 5.36 -40.02 2 5 1 53 278.376 8
Mid Mid (pH 6-8) 1.50 4.12 -12.45 1 5 0 48 277.368 8

Activity (Go SEA)

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