UCSF

ZINC00099544

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 4.91 10.33 -11.47 0 4 0 36 324.424 6
Mid Mid (pH 6-8) 4.91 10.93 -27.79 1 4 1 38 325.432 6

Activity (Go SEA)

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