UCSF

ZINC22166304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 1.91 3.82 -45.94 3 2 1 31 225.381 3
Mid Mid (pH 6-8) 1.91 5.5 -29.95 3 2 1 30 225.381 3
Lo Low (pH 4.5-6) 1.91 5.81 -127.92 4 2 2 32 226.389 3

Activity (Go SEA)

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