UCSF

ZINC19510781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -0.04 0.84 -47.14 4 5 1 69 278.376 6
Hi High (pH 8-9.5) -0.04 0.52 -11.46 3 5 0 68 277.368 6
Mid Mid (pH 6-8) -0.04 3.19 -104.18 5 5 2 70 279.384 6

Activity (Go SEA)

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