UCSF

ZINC09292075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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) 3.55 4.73 -10.53 3 7 0 106 422.872 5
Ref Reference (pH 7) 3.55 5.28 -11.19 3 7 0 106 422.872 5
Lo Low (pH 4.5-6) 3.55 5.16 -50.93 4 7 1 108 423.88 5

Activity (Go SEA)

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