UCSF

ZINC13607340

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 33 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) 4.35 9.78 -46.8 2 7 1 86 457.591 6
Mid Mid (pH 6-8) 4.35 11.61 -48.27 2 7 1 82 457.591 6

Activity (Go SEA)

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