UCSF

ZINC34553501

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 No

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) -3.93 7 -41.27 0 4 1 21 221.328 4
Mid Mid (pH 6-8) -3.93 7.52 -88.93 1 4 2 22 222.336 4

Activity (Go SEA)

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