UCSF

ZINC19899649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.46 7.93 -43.95 2 2 1 26 264.295 6
Hi High (pH 8-9.5) 3.46 6.46 -6.62 1 2 0 21 263.287 6

Activity (Go SEA)

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