UCSF

ZINC12020364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.26 0.89 -27.94 2 12 0 165 486.528 8
Hi High (pH 8-9.5) 0.26 0.68 -69.84 1 12 -1 167 485.52 8

Activity (Go SEA)

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