UCSF

ZINC35188954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 0.18 -2.85 -12.98 3 6 0 99 292.382 3
Mid Mid (pH 6-8) 0.64 -4.8 -43.31 2 6 -1 102 291.374 3

Activity (Go SEA)

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