UCSF

ZINC37820656

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) 1.19 2.74 -51.4 3 5 1 60 296.435 3
Hi High (pH 8-9.5) 1.19 2.52 -8.56 2 5 0 59 295.427 3
Mid Mid (pH 6-8) 1.19 4.73 -102.95 4 5 2 62 297.443 3

Activity (Go SEA)

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