UCSF

ZINC13476973

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 25 No

Other Names:

MFCD00652163

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) 4.58 7.35 -17.12 1 7 0 100 355.375 4
Ref Reference (pH 7) 4.58 7.78 -17.11 1 7 0 100 355.375 4
Hi High (pH 8-9.5) 5.04 5.85 -56.2 0 7 -1 103 354.367 4
Hi High (pH 8-9.5) 5.04 6.52 -54.67 0 7 -1 103 354.367 4

Activity (Go SEA)

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