UCSF

ZINC02291676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 35 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) 3.15 8.53 -22.89 3 9 0 117 471.517 8
Mid Mid (pH 6-8) 3.15 8.92 -36.03 4 9 1 119 472.525 8

Activity (Go SEA)

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