UCSF

ZINC32459065

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 24 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) 4.19 8.6 -14.58 1 4 0 51 318.376 5
Lo Low (pH 4.5-6) 4.19 9 -44.33 2 4 1 52 319.384 5

Activity (Go SEA)

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