UCSF

ZINC06361964

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 23 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) 2.10 3.67 -56.44 2 7 -1 98 370.867 7
Lo Low (pH 4.5-6) 2.10 3.81 -21.6 3 7 0 96 371.875 7

Activity (Go SEA)

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