UCSF

ZINC05034822

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 19 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) 1.53 -7.53 -17.11 2 6 0 92 306.409 6
Hi High (pH 8-9.5) 1.53 -6.95 -43.68 1 6 -1 94 305.401 6
Hi High (pH 8-9.5) 1.53 -7 -42.64 1 6 -1 94 305.401 6
Hi High (pH 8-9.5) 1.53 -6.42 -92.75 0 6 -2 96 304.393 6

Activity (Go SEA)

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