UCSF

ZINC19595641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 29 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) 2.99 10.36 -47.09 1 6 1 54 397.543 9
Mid Mid (pH 6-8) 2.99 10.42 -46.4 1 6 1 54 397.543 9
Mid Mid (pH 6-8) 2.99 8.04 -7.95 0 6 0 53 396.535 9

Activity (Go SEA)

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