UCSF

ZINC37812179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 1.44 6.2 -42.16 2 5 1 63 245.343 9
Hi High (pH 8-9.5) 1.44 4.52 -11.18 1 5 0 59 244.335 9

Activity (Go SEA)

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