UCSF

ZINC36780328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.09 5.77 -96.91 4 4 2 50 257.422 7
Hi High (pH 8-9.5) 2.09 4.77 -36.37 3 4 1 46 256.414 7

Activity (Go SEA)

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