UCSF

ZINC12785697

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 22 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) 2.43 6.38 -9.23 2 4 0 62 292.338 3
Lo Low (pH 4.5-6) 2.50 4.59 -40.68 3 4 1 67 293.346 3

Activity (Go SEA)

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