UCSF

ZINC19923709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 23 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) 0.27 0.05 -53.43 2 7 -1 96 320.369 7
Lo Low (pH 4.5-6) 0.27 1.32 -45.49 4 7 1 94 322.385 7

Activity (Go SEA)

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