UCSF

ZINC29409249

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 24 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) 5.09 9.02 -14.12 1 3 0 50 314.34 3
Mid Mid (pH 6-8) 5.09 9.81 -47.9 0 3 -1 53 313.332 3

Activity (Go SEA)

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