UCSF

ZINC19855371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.15 5.71 -8.43 0 3 0 21 215.3 2
Mid Mid (pH 6-8) 2.15 6.09 -26.2 1 3 1 22 216.308 2
Mid Mid (pH 6-8) 2.15 8.04 -46.47 1 3 1 22 216.308 2
Lo Low (pH 4.5-6) 2.15 8.42 -103.07 2 3 2 24 217.316 2

Activity (Go SEA)

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