UCSF

ZINC59168856

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.02 3.65 -55.17 3 6 1 67 302.402 5
Hi High (pH 8-9.5) 0.02 2.29 -18.08 2 6 0 62 301.394 5
Mid Mid (pH 6-8) 0.02 4.09 -81.11 4 6 2 68 303.41 5

Activity (Go SEA)

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