UCSF

ZINC40528208

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 0.02 1.4 -48.5 4 7 1 99 327.43 4
Hi High (pH 8-9.5) 0.02 -0.84 -12.91 3 7 0 97 326.422 4

Activity (Go SEA)

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