UCSF

ZINC13693453

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 2.73 9.95 -77.32 1 8 0 100 456.47 9
Hi High (pH 8-9.5) 2.73 7.41 -56.64 0 8 -1 99 455.462 9
Mid Mid (pH 6-8) 3.17 8.8 -69.53 2 8 1 98 457.478 8
Mid Mid (pH 6-8) 2.14 9.82 -73.87 1 8 1 94 457.478 9

Activity (Go SEA)

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