UCSF

ZINC04311189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 28 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) 1.94 3.74 -62.18 1 7 -1 99 382.392 7
Mid Mid (pH 6-8) 2.39 -1.47 -22.82 2 7 0 96 383.4 6

Activity (Go SEA)

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