UCSF

ZINC44243265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 3.05 3.83 -8.13 1 4 0 59 406.099 4
Mid Mid (pH 6-8) 3.05 3.42 -38.91 0 4 -1 61 405.091 4

Activity (Go SEA)

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