UCSF

ZINC00647015

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Other Names:

MFCD01924179

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) 4.22 7.24 -11.21 2 5 0 59 400.832 4
Mid Mid (pH 6-8) 4.39 7.72 -30.63 3 5 1 64 401.84 4

Activity (Go SEA)

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