UCSF

ZINC14520560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 24 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) 2.57 9.49 -42.26 2 5 1 50 329.468 4
Mid Mid (pH 6-8) 2.57 7.13 -9.44 1 5 0 48 328.46 4
Lo Low (pH 4.5-6) 2.57 9.8 -95 3 5 2 51 330.476 4

Activity (Go SEA)

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