UCSF

ZINC23995563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 25 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) 1.00 -0.11 -46.96 1 8 -1 100 349.411 5
Mid Mid (pH 6-8) 1.00 2.16 -64.46 2 8 0 101 350.419 5
Lo Low (pH 4.5-6) 1.00 1.06 -54.2 3 8 1 98 351.427 5

Activity (Go SEA)

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