UCSF

ZINC44677177

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 13 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) 1.58 5.23 -7.39 1 2 0 36 172.231 3
Lo Low (pH 4.5-6) 1.58 6.58 -49.15 2 2 1 40 173.239 3

Activity (Go SEA)

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