UCSF

ZINC12628699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 32 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) 4.28 10.13 -28.19 1 7 0 82 495.964 8
Mid Mid (pH 6-8) 4.28 10.43 -48.99 2 7 1 83 496.972 8

Activity (Go SEA)

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