UCSF

ZINC04192044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 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) 3.49 8.15 -49.81 3 6 1 69 395.479 6
Mid Mid (pH 6-8) 3.49 7.06 -10.53 2 6 0 65 394.471 6

Activity (Go SEA)

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