UCSF

ZINC08649133

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 30 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) 7.42 14.71 -11.07 0 2 0 26 382.466 2
Lo Low (pH 4.5-6) 7.42 14.93 -27.74 1 2 1 27 383.474 2

Activity (Go SEA)

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