UCSF

ZINC36878771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 No

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) 0.95 5.16 -49.75 3 4 1 69 244.318 4
Hi High (pH 8-9.5) 0.95 3.96 -10.12 2 4 0 65 243.31 4

Activity (Go SEA)

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