UCSF

ZINC37467203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 10 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) 1.18 2.73 -8.3 1 2 0 36 152.222 3
Lo Low (pH 4.5-6) 1.18 4.11 -53.58 2 2 1 40 153.23 3

Activity (Go SEA)

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