UCSF

ZINC13007009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 22 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) 2.13 6.84 -42.53 3 4 1 49 306.405 6
Hi High (pH 8-9.5) 2.13 4.61 -9.26 2 4 0 48 305.397 6
Hi High (pH 8-9.5) 2.20 1.8 -7.3 2 4 0 52 305.397 6

Activity (Go SEA)

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