UCSF

ZINC32110638

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.08 2.12 -8.64 2 4 0 54 258.321 6
Lo Low (pH 4.5-6) 1.08 2.56 -40.14 3 4 1 56 259.329 6
Lo Low (pH 4.5-6) 1.08 3.53 -56.49 3 4 1 59 259.329 6

Activity (Go SEA)

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