UCSF

ZINC04311224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 30 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) 3.10 9.66 -57.08 0 5 -1 73 401.417 5
Mid Mid (pH 6-8) 3.10 0.74 -10.99 1 5 0 70 402.425 5
Mid Mid (pH 6-8) 2.52 0.59 -12.21 0 5 0 67 402.425 5
Lo Low (pH 4.5-6) 3.10 0.85 -40.25 2 5 1 71 403.433 5

Activity (Go SEA)

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