UCSF

ZINC45697924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.62 7.81 -96.04 3 4 2 47 232.368 11
Mid Mid (pH 6-8) 1.62 6.45 -36.99 2 4 1 43 231.36 11

Activity (Go SEA)

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