UCSF

ZINC37140806

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 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) 2.84 7.31 -29.41 2 2 1 16 225.4 5
Mid Mid (pH 6-8) 2.84 6.04 -34.73 2 2 1 20 225.4 5
Lo Low (pH 4.5-6) 2.84 8.24 -98.98 3 2 2 21 226.408 5

Activity (Go SEA)

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