UCSF

ZINC03451572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 4.59 8.71 -11.14 1 3 0 38 271.36 5
Mid Mid (pH 6-8) 4.11 6.01 -8.26 1 3 0 42 271.36 5

Activity (Go SEA)

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