UCSF

ZINC36775745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.19 6.43 -131.3 4 3 2 45 251.418 8
Hi High (pH 8-9.5) 2.19 4.48 -50.87 3 3 1 44 250.41 8
Mid Mid (pH 6-8) 2.19 6.44 -33.71 3 3 1 43 250.41 8

Activity (Go SEA)

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