UCSF

ZINC42825604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.62 4.83 -112.1 4 3 2 42 216.369 7
Hi High (pH 8-9.5) 1.62 2.23 -2.23 2 3 0 33 214.353 7
Mid Mid (pH 6-8) 1.62 3.43 -34.46 3 3 1 38 215.361 7
Mid Mid (pH 6-8) 1.62 3.65 -35.81 3 3 1 38 215.361 7

Activity (Go SEA)

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