UCSF

ZINC08714950

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 19 Yes

Other Names:

MFCD05092608

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) 2.68 -2.7 -12.7 1 4 0 59 276.361 3
Hi High (pH 8-9.5) 2.68 -2.12 -46.65 0 4 -1 61 275.353 3
Lo Low (pH 4.5-6) 2.68 -2.26 -32.76 2 4 1 60 277.369 3

Activity (Go SEA)

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