UCSF

ZINC42684194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 14 Yes

Other Names:

MFCD10568159

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) -0.27 1.81 -51.74 4 4 1 63 192.242 1
Mid Mid (pH 6-8) -0.27 0.42 -9.01 3 4 0 58 191.234 1

Activity (Go SEA)

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