UCSF

ZINC39948777

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 34 No

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) 2.27 8.57 -34.53 4 14 1 187 469.486 7
Hi High (pH 8-9.5) 2.27 6.35 -11.09 3 14 0 186 468.478 7

Activity (Go SEA)

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