UCSF

ZINC42915558

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) 0.23 -0.16 -53.94 4 4 1 60 257.329 7
Hi High (pH 8-9.5) 0.23 2.13 -38.24 4 4 1 60 257.329 7
Mid Mid (pH 6-8) 0.23 1.89 -132.15 5 4 2 62 258.337 7

Activity (Go SEA)

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