UCSF

ZINC37019353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.41 -2.76 -47.19 4 7 1 97 282.32 6
Hi High (pH 8-9.5) -0.41 -4.15 -10.96 3 7 0 93 281.312 6

Activity (Go SEA)

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