UCSF

ZINC08813170

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 33 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) 6.21 14.8 -52.68 2 4 1 46 458.651 8
Hi High (pH 8-9.5) 6.21 12.47 -14.05 1 4 0 45 457.643 8

Activity (Go SEA)

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