UCSF

ZINC08653550

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2007 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) 1.31 5.29 -16.06 2 5 0 83 280.283 3
Hi High (pH 8-9.5) 2.21 3.48 -56.39 1 5 -1 86 279.275 3
Hi High (pH 8-9.5) 2.21 4.08 -144.81 0 5 -2 89 278.267 3
Hi High (pH 8-9.5) 2.21 3.51 -56.27 1 5 -1 86 279.275 3
Hi High (pH 8-9.5) 2.21 4.1 -144.4 0 5 -2 89 278.267 3

Activity (Go SEA)

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