UCSF

ZINC32505110

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 28 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) 3.87 6.88 -17.48 0 5 0 67 434.505 5
Lo Low (pH 4.5-6) 3.87 7.5 -41.02 1 5 1 68 435.513 5

Activity (Go SEA)

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