UCSF

ZINC04317798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 27 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) 3.61 9.53 -14.48 1 5 0 53 367.424 4
Mid Mid (pH 6-8) 3.61 10.16 -40.43 2 5 1 54 368.432 4
Mid Mid (pH 6-8) 3.61 10.15 -40.48 2 5 1 54 368.432 4

Activity (Go SEA)

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