UCSF

ZINC03564742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 3.70 8.64 -36.35 2 3 1 34 359.231 3
Hi High (pH 8-9.5) 3.52 5.56 -39.35 0 3 -1 39 357.215 3

Activity (Go SEA)

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