UCSF

ZINC13726578

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 8.86 -69.85 1 9 0 109 440.5 8
Hi High (pH 8-9.5) 1.40 6.32 -56.39 0 9 -1 108 439.492 8
Mid Mid (pH 6-8) 1.85 7.7 -66.12 2 9 1 106 441.508 7
Mid Mid (pH 6-8) 0.82 8.73 -60.6 1 9 1 103 441.508 8

Activity (Go SEA)

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