UCSF

ZINC28713586

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 23 No

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) 2.80 0.55 -15.33 3 6 0 96 316.309 5
Mid Mid (pH 6-8) 2.80 1.26 -56.28 2 6 -1 99 315.301 5

Activity (Go SEA)

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