UCSF

ZINC37268310

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) 1.13 4.6 -30.99 3 5 1 60 261.349 5
Hi High (pH 8-9.5) 1.13 4.16 -15.92 2 5 0 58 260.341 5
Lo Low (pH 4.5-6) 1.13 5.76 -97.17 4 5 2 64 262.357 5

Activity (Go SEA)

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