UCSF

ZINC03348537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 25 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) 4.77 8.89 -53.52 3 4 1 51 335.427 3
Mid Mid (pH 6-8) 4.77 7.89 -8.64 2 4 0 46 334.419 3

Activity (Go SEA)

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