UCSF

ZINC06403362

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 17 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) 1.99 3.3 -18.59 1 5 0 73 232.191 1
Mid Mid (pH 6-8) 1.99 4.06 -37.31 0 5 -1 76 231.183 1

Activity (Go SEA)

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