UCSF

ZINC37140796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 3.66 8.67 -29.47 2 2 1 16 239.427 7
Mid Mid (pH 6-8) 3.66 7.34 -35.19 2 2 1 20 239.427 7
Lo Low (pH 4.5-6) 3.66 9.55 -99.19 3 2 2 21 240.435 7

Activity (Go SEA)

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