UCSF

ZINC44934004

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 22 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) 0.80 2.48 -18.45 2 7 0 93 327.406 4
Hi High (pH 8-9.5) 0.80 2.97 -44.88 1 7 -1 90 326.398 4

Activity (Go SEA)

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