UCSF

ZINC36720274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 2.72 5.94 -3.07 2 2 0 29 204.317 1
Mid Mid (pH 6-8) 2.72 6.56 -27.53 3 2 1 30 205.325 1

Activity (Go SEA)

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