UCSF

ZINC42240272

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 3.01 4.99 -13.75 2 4 0 62 245.278 4
Hi High (pH 8-9.5) 3.01 5.99 -59.39 1 4 -1 65 244.27 4

Activity (Go SEA)

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