UCSF

ZINC35765634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 3.36 7.66 -113.95 4 2 2 32 254.462 5
Mid Mid (pH 6-8) 3.36 6.66 -43.29 3 2 1 31 253.454 5

Activity (Go SEA)

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