UCSF

ZINC19868075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 1.22 6.99 -43.35 1 4 1 28 288.415 2
Hi High (pH 8-9.5) 1.22 4.52 -9.03 0 4 0 27 287.407 2
Mid Mid (pH 6-8) 1.22 6.77 -43.07 1 4 1 28 288.415 2

Activity (Go SEA)

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