UCSF

ZINC36950844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 0.13 1.11 -43.19 4 7 1 99 296.347 7
Hi High (pH 8-9.5) 0.13 -0.24 -10.15 3 7 0 95 295.339 7

Activity (Go SEA)

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