UCSF

ZINC00241016

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.76 3.79 -52.94 2 5 -1 87 318.403 3
Mid Mid (pH 6-8) 3.69 4.09 -13.47 3 5 0 88 319.411 2

Activity (Go SEA)

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