UCSF

ZINC37098014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.82 7.3 -126.89 4 3 2 41 274.408 6
Mid Mid (pH 6-8) 2.82 5.35 -48.24 3 3 1 40 273.4 6
Mid Mid (pH 6-8) 2.82 6.95 -38.29 3 3 1 40 273.4 6

Activity (Go SEA)

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