UCSF

ZINC57815356

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 21 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) 4.06 5.72 -11.25 3 4 0 64 346.228 3
Mid Mid (pH 6-8) 4.06 6.18 -24.08 4 4 1 65 347.236 3

Activity (Go SEA)

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