UCSF

ZINC22077838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 3.76 9.45 -40 3 3 1 32 312.481 3
Mid Mid (pH 6-8) 3.76 8.25 -53.33 3 3 1 36 312.481 3
Lo Low (pH 4.5-6) 3.76 10.68 -122.88 4 3 2 37 313.489 3

Activity (Go SEA)

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