UCSF

ZINC31773657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 28 No

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) 3.78 9.5 -70.2 1 5 1 59 403.568 5
Hi High (pH 8-9.5) 3.78 7.21 -16.72 0 5 0 58 402.56 5

Activity (Go SEA)

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