UCSF

ZINC38041886

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 18 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) 4.56 10.55 -99.16 3 2 2 21 256.478 9
Hi High (pH 8-9.5) 4.56 8.64 -35.88 2 2 1 20 255.47 9

Activity (Go SEA)

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