UCSF

ZINC40162950

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 17 Yes

Other Names:

MFCD13704763

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) -0.30 7.22 -59.98 0 4 -1 62 238.169 1
Mid Mid (pH 6-8) -0.30 6.41 -24.68 1 4 0 65 239.177 1

Activity (Go SEA)

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