UCSF

ZINC42906653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 0.52 0.5 -49.15 4 4 1 60 253.366 7
Hi High (pH 8-9.5) 0.52 2.16 -37.81 4 4 1 60 253.366 7
Mid Mid (pH 6-8) 0.52 2.51 -124.24 5 4 2 62 254.374 7

Activity (Go SEA)

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