UCSF

ZINC37031991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -1.00 3.51 -42.56 4 5 1 83 251.306 6
Hi High (pH 8-9.5) -1.00 3.15 -7.59 3 5 0 81 250.298 6

Activity (Go SEA)

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