UCSF

ZINC32246633

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 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) 1.40 6.84 -13.66 0 6 0 55 313.357 4
Lo Low (pH 4.5-6) 1.40 7.17 -35.65 1 6 1 56 314.365 4

Activity (Go SEA)

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