UCSF

ZINC41839235

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 0.82 0.74 -14.99 2 7 0 97 333.369 4
Lo Low (pH 4.5-6) 0.82 0.92 -37.44 2 7 0 101 333.369 4

Activity (Go SEA)

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