UCSF

ZINC25382831

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 4.14 9.22 -48.51 2 5 1 60 396.486 8
Hi High (pH 8-9.5) 4.14 6.96 -12.28 1 5 0 58 395.478 8
Mid Mid (pH 6-8) 4.33 5.56 -8.05 1 5 0 62 395.478 8

Activity (Go SEA)

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