UCSF

ZINC31773700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 27 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) 3.81 8.3 -65.25 1 5 1 59 391.557 3
Hi High (pH 8-9.5) 3.81 6.09 -16.2 0 5 0 58 390.549 3

Activity (Go SEA)

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