UCSF

ZINC37859371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.02 -0.69 -17.72 2 7 0 99 319.408 3
Mid Mid (pH 6-8) 0.47 -2.83 -46.81 1 7 -1 102 318.4 3

Activity (Go SEA)

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