UCSF

ZINC36159039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 1.91 6.84 -47.04 3 5 1 70 334.465 6
Hi High (pH 8-9.5) 2.37 3.77 -49.01 2 5 0 74 333.457 6
Hi High (pH 8-9.5) 1.91 4.68 -11.39 2 5 0 69 333.457 6

Activity (Go SEA)

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