UCSF

ZINC02275692

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 30 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) 6.68 9.72 -12.33 2 4 0 65 392.458 5
Hi High (pH 8-9.5) 6.68 9.29 -53.64 1 4 -1 68 391.45 5
Hi High (pH 8-9.5) 6.68 9.29 -45.82 1 4 -1 68 391.45 5
Hi High (pH 8-9.5) 6.68 10.49 -53.99 1 4 -1 68 391.45 5
Hi High (pH 8-9.5) 6.68 8.18 -45.12 1 4 -1 68 391.45 5
Lo Low (pH 4.5-6) 6.68 8.95 -40.01 3 4 1 67 393.466 5
Lo Low (pH 4.5-6) 6.68 10.23 -37.74 3 4 1 67 393.466 5
Lo Low (pH 4.5-6) 6.68 7.92 -40.32 3 4 1 67 393.466 5

Activity (Go SEA)

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