UCSF

ZINC27880027

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 23 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) 2.10 7.29 -46.41 2 5 1 53 333.481 3
Mid Mid (pH 6-8) 2.10 7.2 -50.71 2 5 1 53 333.481 3
Mid Mid (pH 6-8) 2.10 4.91 -12.1 1 5 0 52 332.473 3

Activity (Go SEA)

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