UCSF

ZINC13162861

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 31 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) 2.32 10.02 -78.29 1 7 0 87 423.513 10
Mid Mid (pH 6-8) 1.74 10.52 -65.06 1 7 1 81 424.521 10
Lo Low (pH 4.5-6) 1.74 10.8 -120.78 2 7 2 82 425.529 10
Lo Low (pH 4.5-6) 2.32 9.21 -57.12 2 7 1 84 424.521 10

Activity (Go SEA)

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