UCSF

ZINC37233097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.58 7.41 -35.37 2 4 1 42 305.471 7
Hi High (pH 8-9.5) 2.58 5.47 -7.94 1 4 0 41 304.463 7
Mid Mid (pH 6-8) 2.58 5.57 -37.39 2 4 1 46 305.471 7
Mid Mid (pH 6-8) 2.58 7.67 -114.02 3 4 2 47 306.479 7

Activity (Go SEA)

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