UCSF

ZINC37267700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.56 5.43 -31.1 2 5 1 51 261.349 4
Hi High (pH 8-9.5) 0.56 4.95 -15.88 1 5 0 50 260.341 4
Lo Low (pH 4.5-6) 0.56 6.69 -98.49 3 5 2 55 262.357 4

Activity (Go SEA)

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