UCSF

ZINC00538578

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 25 Yes

Other Names:

MFCD00868316

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) 4.75 1.58 -12.25 0 5 0 64 384.259 6
Mid Mid (pH 6-8) 4.75 1.23 -10.96 0 5 0 64 384.259 6
Mid Mid (pH 6-8) 4.93 0.33 -10.11 0 5 0 64 384.259 6

Activity (Go SEA)

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