UCSF

ZINC35188198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) 0.61 0.29 -40.29 4 4 1 66 203.306 8
Hi High (pH 8-9.5) 0.61 -0.96 -9.12 3 4 0 61 202.298 8

Activity (Go SEA)

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