UCSF

ZINC03211345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 24 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) 1.13 3.01 -11.84 3 7 0 103 322.324 4
Hi High (pH 8-9.5) 1.58 1.27 -47.34 2 7 -1 107 321.316 4

Activity (Go SEA)

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