UCSF

ZINC35501548

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.44 9.84 -53.82 2 2 1 26 325.259 6
Hi High (pH 8-9.5) 4.44 8.71 -6.1 1 2 0 21 324.251 6

Activity (Go SEA)

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