UCSF

ZINC00135080

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 2.85 8.73 -12.06 2 7 0 96 321.358 5
Hi High (pH 8-9.5) 2.10 7.66 -32.08 1 7 -1 103 320.35 4
Hi High (pH 8-9.5) 2.89 6.89 -36.11 1 7 -1 97 320.35 5

Activity (Go SEA)

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