UCSF

ZINC22935936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 17 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) 2.74 6.27 -41.11 2 2 1 20 233.379 5
Mid Mid (pH 6-8) 2.74 7.28 -32.11 2 2 1 16 233.379 5
Lo Low (pH 4.5-6) 2.74 8.59 -112.72 3 2 2 21 234.387 5

Activity (Go SEA)

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