UCSF

ZINC19956588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 4.06 3.7 -10.89 3 3 0 52 257.333 4
Hi High (pH 8-9.5) 4.06 4.49 -45.64 2 3 -1 55 256.325 4

Activity (Go SEA)

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