UCSF

ZINC03705084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 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) 3.53 4.38 -36.92 3 2 1 37 226.727 1
Hi High (pH 8-9.5) 3.53 5.14 -39.12 2 2 0 40 225.719 1

Activity (Go SEA)

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