UCSF

ZINC23197814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 33 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) 3.61 13.09 -57.86 2 5 1 54 458.573 9
Hi High (pH 8-9.5) 3.61 11.4 -19.79 1 5 0 53 457.565 9

Activity (Go SEA)

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