UCSF

ZINC03846003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

CAS Number: 31147-56-5

Other Names:

MFCD01111115

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) 2.48 1.87 -49.59 0 2 -1 40 169.244 1

Activity (Go SEA)

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