UCSF

ZINC48515748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) -1.18 3.17 -67.15 3 7 0 97 273.333 5
Mid Mid (pH 6-8) -1.18 1.8 -59.65 2 7 -1 96 272.325 5

Activity (Go SEA)

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