UCSF

ZINC36360888

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 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) 1.76 2.58 -10.64 2 8 0 110 361.379 4
Ref Reference (pH 7) 1.57 5.35 -12.82 2 8 0 107 361.379 4
Mid Mid (pH 6-8) 1.94 -0.26 -43.56 1 8 -1 116 360.371 4

Activity (Go SEA)

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