UCSF

ZINC42750049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 Yes

Other Names:

MFCD11035950

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) 2.64 6.04 -10.01 1 3 0 42 252.115 2
Hi High (pH 8-9.5) 2.64 5.53 -37.17 0 3 -1 40 251.107 2

Activity (Go SEA)

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