UCSF

ZINC03047605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 31 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) 6.20 11.86 -10.64 1 4 0 51 410.517 6
Mid Mid (pH 6-8) 6.27 10.39 -42.78 2 4 1 56 411.525 6

Activity (Go SEA)

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