UCSF

ZINC02046395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 16 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) 1.88 8.46 -126.04 0 4 -2 80 240.642 5
Mid Mid (pH 6-8) 1.88 6.26 -53.83 1 4 -1 77 241.65 5
Lo Low (pH 4.5-6) 1.88 6.18 -46.76 1 4 -1 77 241.65 5

Activity (Go SEA)

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