UCSF

ZINC43446297

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 12 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) 0.08 1.65 -41.22 3 4 1 63 176.236 6
Mid Mid (pH 6-8) 0.08 0.23 -7.2 2 4 0 59 175.228 6

Activity (Go SEA)

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