UCSF

ZINC19536282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 13 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) 1.53 5.11 -35.32 1 2 1 8 197.327 2
Mid Mid (pH 6-8) 1.53 4.97 -32.78 1 2 1 8 197.327 2
Mid Mid (pH 6-8) 1.53 2.64 -2.66 0 2 0 6 196.319 2

Activity (Go SEA)

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