UCSF

ZINC04146846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 3.40 5.13 -9.06 3 6 0 97 358.401 3
Mid Mid (pH 6-8) 3.40 4.47 -9.01 3 6 0 97 358.401 3

Activity (Go SEA)

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