UCSF

ZINC06382186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 31 No

Other Names:

MFCD03462015

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) 3.12 7.61 -60.17 0 7 -1 88 424.473 9
Mid Mid (pH 6-8) 3.57 0.35 -19.27 1 7 0 85 425.481 8

Activity (Go SEA)

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