UCSF

ZINC54111240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 19 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) 2.95 6.38 -34.88 2 3 1 29 265.421 8
Mid Mid (pH 6-8) 2.95 8.65 -108.22 3 3 2 30 266.429 8
Mid Mid (pH 6-8) 2.95 7.27 -32.03 2 3 1 26 265.421 8

Activity (Go SEA)

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