UCSF

ZINC20520989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 1.85 1.38 -11.72 3 5 0 85 328.191 3
Mid Mid (pH 6-8) 1.85 1.36 -35.63 2 5 -1 87 327.183 3
Lo Low (pH 4.5-6) 1.85 1.82 -46.18 4 5 1 86 329.199 3

Activity (Go SEA)

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