UCSF

ZINC02583501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) -1.80 1.31 -51.56 4 6 0 106 238.243 6
Hi High (pH 8-9.5) -1.80 1 -50.49 3 6 -1 104 237.235 6

Activity (Go SEA)

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