UCSF

ZINC19224641

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 26 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) 1.69 9.25 -57.5 2 5 1 53 351.474 4
Hi High (pH 8-9.5) 1.69 7.95 -11.08 1 5 0 48 350.466 4
Mid Mid (pH 6-8) 1.69 8.39 -42.18 2 5 1 50 351.474 4

Activity (Go SEA)

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