UCSF

ZINC06196437

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 32 No

Other Names:

MFCD01367258

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) 5.71 13.63 -19 1 5 0 65 431.532 8
Mid Mid (pH 6-8) 5.83 -0.88 -8.96 0 5 0 64 431.532 8

Activity (Go SEA)

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