UCSF

ZINC35179851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 13 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) -0.11 -0.47 -5.34 3 6 0 91 184.199 3
Mid Mid (pH 6-8) 0.35 -2.15 -36.05 2 6 -1 94 183.191 3

Activity (Go SEA)

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