UCSF

ZINC58356433

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 26 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) 2.97 7.78 -14.13 1 5 0 68 343.386 5
Lo Low (pH 4.5-6) 2.97 8.25 -43.7 2 5 1 69 344.394 5

Activity (Go SEA)

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