UCSF

ZINC44675906

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 15 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) 1.86 6.84 -100.89 4 2 2 33 206.333 6
Hi High (pH 8-9.5) 1.86 5.4 -35.44 3 2 1 29 205.325 6
Mid Mid (pH 6-8) 1.86 5.53 -36.66 3 2 1 29 205.325 6

Activity (Go SEA)

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