UCSF

ZINC20872349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 3.20 9.12 -38.99 3 4 1 55 327.448 8
Hi High (pH 8-9.5) 3.20 7.71 -11.95 2 4 0 50 326.44 8

Activity (Go SEA)

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