UCSF

ZINC03236273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 22 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) 4.37 8.47 -10.64 2 3 0 45 333.218 4
Mid Mid (pH 6-8) 4.44 7.17 -39.08 3 3 1 50 334.226 4

Activity (Go SEA)

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