UCSF

ZINC05126605

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 24 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) 2.20 -8.76 -15.23 2 7 0 101 370.452 7
Hi High (pH 8-9.5) 2.20 -8.18 -42.84 1 7 -1 103 369.444 7

Activity (Go SEA)

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