UCSF

ZINC36682811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 0.36 -0.14 -53.53 4 5 1 83 245.324 6
Hi High (pH 8-9.5) 0.36 -0.08 -61.82 3 5 0 85 244.316 6
Hi High (pH 8-9.5) 0.36 -0.52 -47.43 2 5 -1 83 243.308 6

Activity (Go SEA)

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