UCSF

ZINC31167202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 29 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) 4.90 7.96 -11.68 3 6 0 96 392.407 4
Hi High (pH 8-9.5) 4.90 8.44 -49.25 2 6 -1 99 391.399 4
Hi High (pH 8-9.5) 4.90 8.64 -56.95 2 6 -1 99 391.399 4

Activity (Go SEA)

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