UCSF

ZINC36204334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 1.73 7 -49.47 2 7 1 80 365.479 5
Mid Mid (pH 6-8) 1.73 6.85 -56.09 2 7 1 80 365.479 5
Mid Mid (pH 6-8) 1.73 4.63 -12.12 1 7 0 79 364.471 5

Activity (Go SEA)

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