UCSF

ZINC36734432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 26 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) 1.97 4.15 -33.92 2 6 1 56 365.494 7
Hi High (pH 8-9.5) 1.97 1.89 -7.16 1 6 0 54 364.486 7

Activity (Go SEA)

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