UCSF

ZINC37463878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 17 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) -0.26 -0.58 -53.02 2 7 -1 119 279.319 5
Mid Mid (pH 6-8) 0.20 -2.34 -99.42 1 7 -2 122 278.311 5

Activity (Go SEA)

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