UCSF

ZINC35457443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 3.08 10.04 -15.93 0 6 0 69 378.476 3
Lo Low (pH 4.5-6) 3.08 10.45 -47.35 1 6 1 71 379.484 3

Activity (Go SEA)

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