UCSF

ZINC72192657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 27 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) 2.02 3.64 -47.85 1 7 -1 97 383.405 4
Lo Low (pH 4.5-6) 1.56 5.63 -13.88 2 7 0 94 384.413 4

Activity (Go SEA)

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