UCSF

ZINC32505250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 25 No

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) 2.20 5.47 -18.37 0 6 0 76 380.491 4
Lo Low (pH 4.5-6) 2.20 6.4 -40.23 1 6 1 78 381.499 4

Activity (Go SEA)

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