UCSF

ZINC38003780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) -0.01 -2.2 -15 4 7 0 114 309.347 5
Hi High (pH 8-9.5) -0.01 -2.06 -49.02 3 7 -1 116 308.339 5

Activity (Go SEA)

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