UCSF

ZINC51364307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 35 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) -0.11 11.86 -65.1 2 9 1 94 489.568 11
Mid Mid (pH 6-8) -0.11 9.65 -22.41 1 9 0 93 488.56 11

Activity (Go SEA)

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