UCSF

ZINC00681677

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD02056228

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) 5.00 9.96 -13.1 1 5 0 50 491.739 3
Mid Mid (pH 6-8) 5.17 9.98 -34.91 2 5 1 55 492.747 3

Activity (Go SEA)

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