UCSF

ZINC06382911

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 27 No

Other Names:

MFCD03861394

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) 3.10 8.5 -56.62 0 5 -1 74 382.392 5
Mid Mid (pH 6-8) 3.10 8.65 -12.56 1 5 0 71 383.4 5
Mid Mid (pH 6-8) 2.51 9.35 -21.09 0 5 0 68 383.4 5

Activity (Go SEA)

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