UCSF

ZINC00131304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 5.01 9.7 -6.98 0 2 0 22 275.351 4
Ref Reference (pH 7) 5.01 10.63 -8.52 0 2 0 22 275.351 4
Lo Low (pH 4.5-6) 5.01 10.99 -23.98 1 2 1 23 276.359 4
Lo Low (pH 4.5-6) 5.01 10.12 -29.39 1 2 1 23 276.359 4

Activity (Go SEA)

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