UCSF

ZINC37076406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.57 6.01 -7.59 1 4 0 51 276.361 7
Mid Mid (pH 6-8) 1.57 7 -36.77 2 4 1 56 277.369 7

Activity (Go SEA)

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