UCSF

ZINC04320801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 23 Yes

Other Names:

MFCD02327191

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) 3.04 5.59 -34.79 0 7 -1 85 354.173 2
Mid Mid (pH 6-8) 2.59 7.2 -8.95 1 7 0 82 355.181 2

Activity (Go SEA)

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