UCSF

ZINC40864439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 18 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) -2.01 -1.94 -47.43 6 7 1 120 257.314 4
Hi High (pH 8-9.5) -2.01 -2.26 -17.22 5 7 0 119 256.306 4

Activity (Go SEA)

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