UCSF

ZINC36996335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.36 6.37 -35.23 2 4 1 34 263.409 3
Mid Mid (pH 6-8) 1.36 5.4 -41.14 2 4 1 38 263.409 3
Lo Low (pH 4.5-6) 1.36 7.65 -114.91 3 4 2 39 264.417 3

Activity (Go SEA)

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