UCSF

ZINC41057009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) 1.17 4.92 -111.81 4 2 2 32 172.316 6
Mid Mid (pH 6-8) 1.17 4.53 -29.65 3 2 1 30 171.308 6
Mid Mid (pH 6-8) 1.17 2.84 -41.51 3 2 1 31 171.308 6

Activity (Go SEA)

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