UCSF

ZINC45581403

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2010 23 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) 1.53 3.56 -61.67 2 6 0 82 314.389 7
Lo Low (pH 4.5-6) 1.07 5.4 -41.85 3 6 1 79 315.397 7

Activity (Go SEA)

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