UCSF

ZINC37856637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.61 -0.09 -16.03 1 7 0 91 305.381 2
Mid Mid (pH 6-8) -0.15 -2.24 -45.39 0 7 -1 94 304.373 2

Activity (Go SEA)

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