UCSF

ZINC33617046

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 38 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) 5.03 12.51 -54.73 0 8 -1 97 524.634 16
Lo Low (pH 4.5-6) 5.03 11.22 -19.53 1 8 0 95 525.642 16

Activity (Go SEA)

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