UCSF

ZINC65167215

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 17 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) 0.95 1.73 -30.22 3 4 1 48 243.371 4
Mid Mid (pH 6-8) 0.95 -0.61 -4.52 2 4 0 47 242.363 4
Mid Mid (pH 6-8) 0.95 1.12 -32.44 3 4 1 48 243.371 4

Activity (Go SEA)

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