UCSF

ZINC49792291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 36 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) -2.04 3.22 -112.17 6 14 0 211 534.58 6
Hi High (pH 8-9.5) -2.04 3.13 -154.06 5 14 -1 214 533.572 6
Hi High (pH 8-9.5) -2.04 3.72 -139.84 4 14 -2 209 532.564 6
Hi High (pH 8-9.5) -2.04 4.5 -167.01 5 14 -1 214 533.572 6
Hi High (pH 8-9.5) -2.04 2.4 -130.21 4 14 -2 209 532.564 6
Mid Mid (pH 6-8) -2.34 3.38 -141.64 5 14 -1 214 533.572 7
Lo Low (pH 4.5-6) -1.50 4.15 -135.81 7 14 1 212 535.588 6

Activity (Go SEA)

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