UCSF

ZINC60020522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 18 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) -1.51 8.13 -312.64 0 8 -4 161 252.134 4
Lo Low (pH 4.5-6) -1.51 6.03 -198.33 1 8 -3 158 253.142 4

Activity (Go SEA)

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