UCSF

ZINC42681630

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 19 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) 0.20 5.45 -49.15 2 5 1 57 268.381 1
Hi High (pH 8-9.5) 0.20 4.23 -10.25 1 5 0 53 267.373 1

Activity (Go SEA)

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