UCSF

ZINC37053780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.90 3.64 -52.14 2 5 -1 98 318.403 4
Mid Mid (pH 6-8) 1.90 3.6 -12.25 3 5 0 96 319.411 4

Activity (Go SEA)

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