UCSF

ZINC21800223

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 2.95 10 -57.79 2 6 1 61 379.484 5
Mid Mid (pH 6-8) 2.95 7.61 -17.76 1 6 0 59 378.476 5
Mid Mid (pH 6-8) 2.95 8.18 -35.81 2 6 1 61 379.484 5

Activity (Go SEA)

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