UCSF

ZINC40465399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 21 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) 1.25 8.22 -10.6 0 4 0 57 277.327 4
Lo Low (pH 4.5-6) 1.25 8.56 -44.63 1 4 1 58 278.335 4

Activity (Go SEA)

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