UCSF

ZINC37098495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.93 3.56 -46.97 3 3 1 48 199.318 3
Mid Mid (pH 6-8) 1.93 4.09 -6.41 2 3 0 46 198.31 3

Activity (Go SEA)

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