UCSF

ZINC40479420

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 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) 2.23 4.05 -4.91 0 3 0 22 221.3 4
Mid Mid (pH 6-8) 2.23 6.37 -36.12 1 3 1 23 222.308 4

Activity (Go SEA)

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