UCSF

ZINC31962491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.83 6.43 -39.35 2 3 1 29 206.313 4
Hi High (pH 8-9.5) 1.83 4.15 -4.09 1 3 0 28 205.305 4

Activity (Go SEA)

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