UCSF

ZINC13696568

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 3.72 7.17 -15.02 1 6 0 80 402.859 4
Hi High (pH 8-9.5) 3.72 7.25 -53.92 0 6 -1 82 401.851 4

Activity (Go SEA)

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