UCSF

ZINC13723254

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 Yes

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) 3.50 9.68 -50.97 1 6 1 56 407.49 5
Hi High (pH 8-9.5) 3.50 6.71 -14.17 0 6 0 55 406.482 5
Mid Mid (pH 6-8) 3.50 9.2 -47.71 1 6 1 56 407.49 5
Lo Low (pH 4.5-6) 3.50 12.04 -118.97 2 6 2 58 408.498 5

Activity (Go SEA)

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