UCSF

ZINC11687332

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 27 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) 3.60 8.04 -11.95 2 6 0 83 368.481 7
Mid Mid (pH 6-8) 3.60 8.43 -33.35 3 6 1 85 369.489 7

Activity (Go SEA)

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