UCSF

ZINC37167270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 2.99 5.41 -29.95 2 3 1 23 270.485 6
Mid Mid (pH 6-8) 2.99 9.4 -196.27 4 3 3 25 272.501 6
Mid Mid (pH 6-8) 2.99 7.43 -112.33 3 3 2 24 271.493 6
Mid Mid (pH 6-8) 2.99 7.61 -93.89 3 3 2 24 271.493 6

Activity (Go SEA)

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