UCSF

ZINC31167198

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 8.22 -12.39 3 6 0 96 392.407 4
Hi High (pH 8-9.5) 4.90 8.12 -47.79 2 6 -1 99 391.399 4
Hi High (pH 8-9.5) 4.90 8.9 -57.81 2 6 -1 99 391.399 4

Activity (Go SEA)

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