UCSF

ZINC37815266

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) -0.50 1.5 -49.48 4 5 1 77 242.343 4
Hi High (pH 8-9.5) -0.50 1.16 -14.59 3 5 0 75 241.335 4

Activity (Go SEA)

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