UCSF

ZINC00197177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 17 Yes

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) 3.10 0.53 -8.36 0 3 0 31 225.247 2
Lo Low (pH 4.5-6) 3.10 0.64 -38.71 1 3 1 32 226.255 2

Activity (Go SEA)

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