UCSF

ZINC23359759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 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) 1.40 3.99 -51.06 3 5 1 58 320.457 8
Hi High (pH 8-9.5) 1.40 2.81 -9.46 2 5 0 54 319.449 8
Lo Low (pH 4.5-6) 1.40 6.06 -120.37 4 5 2 59 321.465 8

Activity (Go SEA)

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