UCSF

ZINC37081919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.21 6.37 -125.57 4 2 2 32 254.443 6
Mid Mid (pH 6-8) 2.21 5.13 -45.13 3 2 1 31 253.435 6
Mid Mid (pH 6-8) 2.21 5.99 -30.68 3 2 1 30 253.435 6

Activity (Go SEA)

Rings

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