UCSF

ZINC35061447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 3.06 5.12 -36.56 3 4 1 63 272.752 6
Hi High (pH 8-9.5) 3.06 4.67 -40.76 1 4 -1 61 270.736 6
Hi High (pH 8-9.5) 3.06 5.88 -24.24 2 4 0 66 271.744 6
Mid Mid (pH 6-8) 3.06 3.9 -7.2 2 4 0 59 271.744 6

Activity (Go SEA)

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