UCSF

ZINC13483138

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 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) 1.31 2.53 -13.3 3 4 0 68 179.223 3
Mid Mid (pH 6-8) 1.31 2.3 -27.38 4 4 1 69 180.231 3

Activity (Go SEA)

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