UCSF

ZINC12383492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 15 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) 2.21 1.08 -33.14 1 2 1 17 205.325 3
Lo Low (pH 4.5-6) 2.21 1.16 -91.2 2 2 2 19 206.333 3

Activity (Go SEA)

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