UCSF

ZINC37859653

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 14 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) -0.48 1.49 -97.6 4 4 2 51 204.314 7
Mid Mid (pH 6-8) -0.48 2.02 -41.6 3 4 1 53 203.306 7
Mid Mid (pH 6-8) -0.48 0.15 -32.93 3 4 1 46 203.306 7

Activity (Go SEA)

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