UCSF

ZINC37100934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 4.11 8.74 -31.6 2 2 1 16 255.47 4
Mid Mid (pH 6-8) 4.11 9.13 -94.92 3 2 2 21 256.478 4
Mid Mid (pH 6-8) 4.11 6.8 -27.41 2 2 1 20 255.47 4

Activity (Go SEA)

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