UCSF

ZINC39946815

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 12 Yes

CAS Number: 938-85-2

Other Names:

MFCD00042766

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) -1.03 -1.53 -8.91 2 6 0 84 165.156 0

Activity (Go SEA)

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