UCSF

ZINC36860959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 1.09 3.22 -10.11 3 4 0 62 207.277 1
Mid Mid (pH 6-8) 0.65 2.03 -51.61 3 4 1 60 208.285 1

Activity (Go SEA)

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