UCSF

ZINC31773272

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 21 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) 2.39 8.28 -14.16 0 5 0 56 277.283 2
Lo Low (pH 4.5-6) 2.39 8.7 -29.22 1 5 1 58 278.291 2

Activity (Go SEA)

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