UCSF

ZINC00425440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 1.27 4.67 -49.7 1 5 -1 70 308.408 5
Mid Mid (pH 6-8) 1.00 3.45 -13.98 2 5 0 70 309.416 5
Mid Mid (pH 6-8) 0.81 6.03 -17.9 2 5 0 67 309.416 5

Activity (Go SEA)

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