UCSF

ZINC26819064

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 35 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) -5.61 0.19 -181.63 2 15 -3 215 502.501 10
Mid Mid (pH 6-8) -5.61 3.25 -161.27 3 15 -2 220 503.509 10
Lo Low (pH 4.5-6) -5.61 5.44 -167.14 4 15 -1 222 504.517 10
Lo Low (pH 4.5-6) -5.61 2.65 -129.47 3 15 -2 216 503.509 10

Activity (Go SEA)

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