UCSF

ZINC04029341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 19 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) 2.46 4.18 -7.75 2 4 0 58 258.321 3
Hi High (pH 8-9.5) 2.83 -0.18 -44.11 1 4 -1 68 257.313 3
Hi High (pH 8-9.5) 2.83 0.78 -29.29 2 4 0 70 258.321 3

Activity (Go SEA)

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