UCSF

ZINC33895245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 1.29 2.55 -49.54 2 5 -1 92 206.156 1
Mid Mid (pH 6-8) 1.29 2.68 -32.48 3 5 0 93 207.164 1

Activity (Go SEA)

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