UCSF

ZINC21882316

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 28 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) 1.58 7.13 -100.57 2 8 0 97 388.468 6
Hi High (pH 8-9.5) 1.58 4.91 -70.18 1 8 -1 96 387.46 6

Activity (Go SEA)

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