UCSF

ZINC06233509

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 12 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) 1.21 2.14 -27.88 4 3 1 58 165.216 2
Lo Low (pH 4.5-6) 1.08 2.13 -7.81 4 3 0 60 165.216 1
Lo Low (pH 4.5-6) 1.08 2.02 -31.14 4 3 1 60 165.216 1

Activity (Go SEA)

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