UCSF

ZINC00804120

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 No

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) 3.50 7.75 -9.49 2 5 0 101 357.461 4
Mid Mid (pH 6-8) 3.50 10.08 -57.7 3 5 1 102 358.469 4

Activity (Go SEA)

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