UCSF

ZINC02770241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 23 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) 4.40 7.31 -8.57 1 4 0 54 324.405 4
Ref Reference (pH 7) 3.47 7.22 -14.09 1 4 0 51 324.405 5
Hi High (pH 8-9.5) 4.86 5.36 -44.64 0 4 -1 58 323.397 4
Hi High (pH 8-9.5) 4.86 5.7 -44.57 0 4 -1 58 323.397 4
Mid Mid (pH 6-8) 3.47 6.22 -43.95 0 4 -1 53 323.397 5

Activity (Go SEA)

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