UCSF

ZINC02487430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 26 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) 2.84 6.89 -11.54 1 7 0 95 395.458 6
Mid Mid (pH 6-8) 3.30 5.78 -40.72 0 7 -1 98 394.45 6

Activity (Go SEA)

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