UCSF

ZINC33693227

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 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) 3.00 4.86 -46.69 0 4 -1 61 326.195 3
Mid Mid (pH 6-8) 3.00 5.24 -10.82 1 4 0 59 327.203 3
Lo Low (pH 4.5-6) 3.18 5.31 -12.65 1 4 0 62 327.203 2

Activity (Go SEA)

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