UCSF

ZINC44686367

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.67 6.88 -37.9 2 3 1 23 274.432 5
Mid Mid (pH 6-8) 2.67 8.31 -31.7 2 3 1 20 274.432 5
Lo Low (pH 4.5-6) 2.67 9.22 -109.15 3 3 2 24 275.44 5

Activity (Go SEA)

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