UCSF

ZINC13575510

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 32 No

Other Names:

MFCD01017165

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) 7.14 12.44 -12.24 1 5 0 64 485.392 6
Ref Reference (pH 7) 7.14 12.72 -12.04 1 5 0 64 485.392 6
Ref Reference (pH 7) 6.65 12.32 -42.2 0 5 -1 63 484.384 7

Activity (Go SEA)

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