UCSF

ZINC37049290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.87 5.9 -150.23 5 4 3 40 273.489 10
Hi High (pH 8-9.5) 0.87 1.53 -41.55 3 4 1 37 271.473 10
Mid Mid (pH 6-8) 0.87 3.64 -79.97 4 4 2 39 272.481 10

Activity (Go SEA)

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