UCSF

ZINC59635715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 21 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) 2.19 6.06 -5.97 4 4 0 59 284.407 6
Mid Mid (pH 6-8) 2.19 6.49 -17.05 5 4 0 60 285.415 6
Lo Low (pH 4.5-6) 2.19 6.95 -116.07 6 4 0 61 286.423 6

Activity (Go SEA)

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