UCSF

ZINC07992432

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 14 Yes

Other Names:

MFCD19105117

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) 0.87 4.45 -13.15 1 3 0 42 189.214 0
Hi High (pH 8-9.5) 0.87 5.25 -62.84 0 3 -1 45 188.206 0

Activity (Go SEA)

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