UCSF

ZINC00505541

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) 4.00 7.62 -6.96 0 3 0 25 268.36 5
Ref Reference (pH 7) 4.00 8.4 -7.03 0 3 0 25 268.36 5
Mid Mid (pH 6-8) 4.00 8.38 -35.07 1 3 0 26 269.368 5
Mid Mid (pH 6-8) 4.00 9.19 -34.06 1 3 0 26 269.368 5

Activity (Go SEA)

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