UCSF

ZINC29374570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 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) 2.86 9.59 -50.64 2 6 1 57 399.559 5
Mid Mid (pH 6-8) 2.86 7.22 -19.94 1 6 0 56 398.551 5

Activity (Go SEA)

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