UCSF

ZINC19944953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.76 9.36 -36.68 1 3 1 17 291.459 7
Hi High (pH 8-9.5) 3.76 7.03 -4.18 0 3 0 16 290.451 7
Mid Mid (pH 6-8) 3.76 9.5 -35.43 1 3 1 17 291.459 7

Activity (Go SEA)

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