UCSF

ZINC35002973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

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) 1.21 3.84 -61.21 1 9 -1 118 440.428 7
Lo Low (pH 4.5-6) 1.21 3.09 -17.05 2 9 0 115 441.436 7

Activity (Go SEA)

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