UCSF

ZINC58576577

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 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) -1.34 -0.45 -61.4 5 7 0 129 243.263 6
Hi High (pH 8-9.5) -1.34 -1.68 -48.98 4 7 -1 124 242.255 6

Activity (Go SEA)

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