UCSF

ZINC44887453

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 Yes

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) -1.12 -2.96 -41.03 3 8 -1 125 253.267 4
Lo Low (pH 4.5-6) -1.12 -2.82 -16.68 4 8 0 127 254.275 4

Activity (Go SEA)

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