UCSF

ZINC04270359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 26 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) 4.09 -3.3 -11.96 1 5 0 66 370.474 4
Hi High (pH 8-9.5) 4.09 -2.72 -42.7 0 5 -1 68 369.466 4

Activity (Go SEA)

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