UCSF

ZINC20931240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 2.25 7.35 -47.9 2 4 1 48 287.383 8
Hi High (pH 8-9.5) 2.25 5.95 -8.23 1 4 0 43 286.375 8

Activity (Go SEA)

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