UCSF

ZINC36743398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 3.33 3.57 -7.53 3 4 0 72 406.099 3
Mid Mid (pH 6-8) 3.33 3.64 -39.67 2 4 -1 74 405.091 3

Activity (Go SEA)

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