UCSF

ZINC21813333

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 2.37 9.76 -36.43 3 2 1 30 271.428 7
Hi High (pH 8-9.5) 2.37 8.15 -46.11 3 2 1 31 271.428 7
Mid Mid (pH 6-8) 2.37 10 -139.34 4 2 2 32 272.436 7

Activity (Go SEA)

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