UCSF

ZINC20365890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 2.12 5.24 -36.99 3 4 1 46 272.457 9
Mid Mid (pH 6-8) 2.12 4.41 -38.47 3 4 1 49 272.457 9
Mid Mid (pH 6-8) 2.12 6.47 -108.72 4 4 2 50 273.465 9

Activity (Go SEA)

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