UCSF

ZINC70513477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.57 2.56 -34.4 3 4 1 49 287.468 10
Hi High (pH 8-9.5) 2.57 1.33 -4.3 2 4 0 45 286.46 10
Mid Mid (pH 6-8) 2.57 4.74 -84.8 4 4 2 51 288.476 10

Activity (Go SEA)

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