UCSF

ZINC37053055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.17 0.84 -49.47 2 6 -1 111 273.297 3
Mid Mid (pH 6-8) 0.35 1.34 -29.45 3 6 0 112 274.305 2

Activity (Go SEA)

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