UCSF

ZINC55133931

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 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) 3.95 10.22 -29.07 1 5 1 43 397.93 6
Mid Mid (pH 6-8) 3.95 10.23 -31.46 1 5 1 43 397.93 6
Mid Mid (pH 6-8) 3.95 9.46 -6.18 0 5 0 41 396.922 6

Activity (Go SEA)

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