UCSF

ZINC44261442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 No

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) 0.64 -0.11 -10.36 0 6 0 80 285.3 3
Mid Mid (pH 6-8) 0.64 1.02 -47.35 1 6 1 81 286.308 3

Activity (Go SEA)

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