UCSF

ZINC12297318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 29 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) 2.50 -2.08 -100.09 4 5 2 63 393.531 11
Lo Low (pH 4.5-6) 2.50 -1.97 -172.11 5 5 3 65 394.539 11

Activity (Go SEA)

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