UCSF

ZINC29985233

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 31 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) 1.24 4.93 -12.89 0 8 0 67 426.517 6
Mid Mid (pH 6-8) 1.24 7.24 -47.67 1 8 1 69 427.525 6
Lo Low (pH 4.5-6) 1.24 7.64 -95.66 2 8 2 70 428.533 6

Activity (Go SEA)

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