UCSF

ZINC09118274

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 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) 3.30 0.27 -15.63 1 4 0 55 330.387 4
Lo Low (pH 4.5-6) 3.30 0.38 -49.13 2 4 1 56 331.395 4

Activity (Go SEA)

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