UCSF

ZINC40070317

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 27 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) 3.18 9.61 -9.9 1 5 0 54 365.477 4
Lo Low (pH 4.5-6) 3.18 9.96 -37.77 2 5 1 56 366.485 4

Activity (Go SEA)

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