UCSF

ZINC13741221

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 13 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) 1.39 3.71 -40.42 4 3 1 56 180.275 1
Mid Mid (pH 6-8) 1.39 4.16 -99.53 5 3 2 58 181.283 1
Mid Mid (pH 6-8) 1.39 3.69 -38.68 4 3 1 56 180.275 1

Activity (Go SEA)

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