UCSF

ZINC02797222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 26 Yes

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) 4.54 13.23 -11.2 1 4 0 43 340.43 2
Mid Mid (pH 6-8) 4.72 14.74 -118.4 3 4 2 49 342.446 2
Lo Low (pH 4.5-6) 4.72 13.82 -44.9 2 4 1 47 341.438 2

Activity (Go SEA)

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