UCSF

ZINC37859175

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.28 1.79 -10.14 2 5 0 79 304.437 3
Mid Mid (pH 6-8) 2.74 -0.56 -42.31 1 5 -1 82 303.429 3

Activity (Go SEA)

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