UCSF

ZINC01296973

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 20 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) 3.50 9.13 -11.93 1 3 0 38 320.464 3
Mid Mid (pH 6-8) 3.96 8.69 -36.89 0 3 -1 41 319.456 3

Activity (Go SEA)

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