UCSF

ZINC37799578

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.74 2.63 -44.64 3 5 1 60 284.424 6
Hi High (pH 8-9.5) 0.74 2.28 -8.26 2 5 0 59 283.416 6
Mid Mid (pH 6-8) 0.74 4.87 -100.19 4 5 2 62 285.432 6

Activity (Go SEA)

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