UCSF

ZINC08742917

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 6.14 12.87 -14.17 1 7 0 93 429.476 6
Ref Reference (pH 7) 6.14 12.73 -14.17 1 7 0 93 429.476 6
Mid Mid (pH 6-8) 6.14 12.73 -34.9 2 7 1 94 430.484 6
Lo Low (pH 4.5-6) 6.14 12.72 -35.24 2 7 1 94 430.484 6

Activity (Go SEA)

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