UCSF

ZINC22454594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 16 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) 1.40 4.11 -38.58 2 3 1 28 221.324 2
Hi High (pH 8-9.5) 1.40 4.89 -52.56 1 3 0 31 220.316 2

Activity (Go SEA)

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