UCSF

ZINC00320706

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 4.99 0.59 -11.57 1 4 0 42 336.483 5
Mid Mid (pH 6-8) 4.99 0.8 -25.68 2 4 1 43 337.491 5

Activity (Go SEA)

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