UCSF

ZINC20125939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.17 5.89 -108.21 3 3 2 34 209.337 5
Hi High (pH 8-9.5) 1.17 2.56 -3.53 1 3 0 28 207.321 5
Mid Mid (pH 6-8) 1.17 4.77 -30.81 2 3 1 29 208.329 5
Lo Low (pH 4.5-6) 1.17 5.14 -87.76 3 3 2 31 209.337 5

Activity (Go SEA)

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