UCSF

ZINC01907083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 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) 3.92 8.43 -18.49 2 7 0 93 438.896 4
Lo Low (pH 4.5-6) 3.92 8.84 -51.38 3 7 1 94 439.904 4

Activity (Go SEA)

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