UCSF

ZINC37319120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 1.65 4.29 -42.19 4 5 1 63 283.44 5
Mid Mid (pH 6-8) 1.65 3.09 -48.22 4 5 1 66 283.44 5
Lo Low (pH 4.5-6) 1.65 5.32 -120.12 5 5 2 67 284.448 5

Activity (Go SEA)

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