UCSF

ZINC19977484

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 1.21 2.85 -48.57 3 5 1 58 278.376 5
Mid Mid (pH 6-8) 1.21 3.62 -38.16 3 5 1 55 278.376 5
Lo Low (pH 4.5-6) 1.21 5.02 -120.31 4 5 2 59 279.384 5

Activity (Go SEA)

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