UCSF

ZINC37408652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 4.69 6.32 -35.2 0 3 -1 48 455.066 3
Mid Mid (pH 6-8) 4.69 6.3 -6.32 1 3 0 46 456.074 3

Activity (Go SEA)

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