UCSF

ZINC30903963

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 28 No

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) 2.23 7.33 -17.62 1 6 0 66 375.428 3
Ref Reference (pH 7) 2.23 7.09 -15.19 1 6 0 66 375.428 3
Mid Mid (pH 6-8) 2.23 9.51 -57.59 2 6 1 67 376.436 3
Mid Mid (pH 6-8) 2.23 9.52 -59.88 2 6 1 67 376.436 3

Activity (Go SEA)

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