UCSF

ZINC44872816

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 2.38 6.68 -9.56 1 4 0 47 275.327 4
Mid Mid (pH 6-8) 2.44 5 -40.15 2 4 1 52 276.335 4

Activity (Go SEA)

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