UCSF

ZINC36872582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 12 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) -0.30 -0.74 -42.13 4 4 1 66 175.252 6
Hi High (pH 8-9.5) -0.30 -1.03 -6.13 3 4 0 64 174.244 6

Activity (Go SEA)

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