UCSF

ZINC44261905

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 1.04 1.37 -117.25 2 7 -2 127 309.278 4
Mid Mid (pH 6-8) 1.04 1.28 -47.46 3 7 -1 125 310.286 4

Activity (Go SEA)

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