UCSF

ZINC43896543

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 4.17 9.98 -108.84 3 2 2 21 256.478 7
Hi High (pH 8-9.5) 4.17 8.33 -31.94 2 2 1 20 255.47 7

Activity (Go SEA)

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