UCSF

ZINC19233111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 19 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) 4.06 8.58 -33.51 2 2 1 16 302.269 5
Mid Mid (pH 6-8) 4.06 7.57 -32.21 2 2 1 20 302.269 5
Lo Low (pH 4.5-6) 4.06 9.86 -98.23 3 2 2 21 303.277 5

Activity (Go SEA)

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