UCSF

ZINC23411551

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 29 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) 3.74 12.13 -63.62 2 5 1 51 389.523 4
Mid Mid (pH 6-8) 3.74 9.82 -19.66 1 5 0 50 388.515 4
Mid Mid (pH 6-8) 3.74 10.24 -34.68 2 5 1 51 389.523 4

Activity (Go SEA)

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