UCSF

ZINC22459631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 23 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) 1.33 2.68 -12.14 2 5 0 57 315.417 5
Mid Mid (pH 6-8) 1.33 4.08 -44.76 3 5 1 62 316.425 5
Lo Low (pH 4.5-6) 1.33 5 -43.08 3 5 1 59 316.425 5

Activity (Go SEA)

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