UCSF

ZINC13726581

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 1.40 9.4 -69.79 1 9 0 109 440.5 8
Hi High (pH 8-9.5) 1.40 6.87 -53.88 0 9 -1 108 439.492 8
Mid Mid (pH 6-8) 1.85 8.32 -68.22 2 9 1 106 441.508 7
Mid Mid (pH 6-8) 0.82 9.28 -62.78 1 9 1 103 441.508 8

Activity (Go SEA)

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