UCSF

ZINC06009332

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 23 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) 2.53 5.67 -17.44 1 6 0 73 312.325 4
Hi High (pH 8-9.5) 2.53 6.86 -68.72 0 6 -1 76 311.317 4
Hi High (pH 8-9.5) 2.53 5.99 -61.42 0 6 -1 76 311.317 4

Activity (Go SEA)

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