UCSF

ZINC20925100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 21 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) 4.89 9.16 -4.17 1 2 0 21 303.833 8
Mid Mid (pH 6-8) 4.89 10.57 -49.19 2 2 1 26 304.841 8

Activity (Go SEA)

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