UCSF

ZINC44887274

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) -0.17 -1.53 -46.57 3 8 -1 125 281.321 4
Lo Low (pH 4.5-6) -0.17 -1.31 -16.72 4 8 0 127 282.329 4

Activity (Go SEA)

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