UCSF

ZINC37859148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 16 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) 1.29 0.03 -10.28 2 5 0 79 262.356 3
Mid Mid (pH 6-8) 1.75 -2.01 -40.84 1 5 -1 82 261.348 3

Activity (Go SEA)

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