UCSF

ZINC37141037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 13 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) 1.56 5.41 -29.29 2 2 1 16 183.319 3
Mid Mid (pH 6-8) 1.56 4.22 -33.77 2 2 1 20 183.319 3
Lo Low (pH 4.5-6) 1.56 6.41 -95.29 3 2 2 21 184.327 3

Activity (Go SEA)

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