UCSF

ZINC31773431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 14 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) 0.29 1.85 -39.53 3 4 0 77 195.218 5
Hi High (pH 8-9.5) 0.29 0.59 -57.43 2 4 -1 72 194.21 5

Activity (Go SEA)

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