UCSF

ZINC44687509

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 1.06 -0.81 -8.98 3 5 0 81 264.372 6
Lo Low (pH 4.5-6) 1.06 -0.96 -55.81 4 5 1 83 265.38 6

Activity (Go SEA)

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