UCSF

ZINC37840644

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.21 1.18 -16.06 2 7 0 99 315.395 8
Hi High (pH 8-9.5) 1.67 -0.76 -56.09 1 7 -1 102 314.387 8

Activity (Go SEA)

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