UCSF

ZINC45688738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.56 8.77 -42.18 2 3 1 43 282.429 8
Mid Mid (pH 6-8) 3.56 7.7 -4.88 1 3 0 38 281.421 8

Activity (Go SEA)

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