UCSF

ZINC09779099

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 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) 0.72 4.15 -19.27 1 4 0 51 219.24 2
Lo Low (pH 4.5-6) 2.02 2.24 -31.93 2 4 1 53 220.248 2

Activity (Go SEA)

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