UCSF

ZINC31844780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 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) 1.34 4.71 -16.7 1 6 0 72 311.341 4
Lo Low (pH 4.5-6) 1.34 5.15 -54.11 2 6 1 73 312.349 4

Activity (Go SEA)

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