UCSF

ZINC37049320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.19 4.42 -96.49 4 4 2 48 264.417 7
Hi High (pH 8-9.5) 0.19 2.16 -44.6 3 4 1 47 263.409 7
Mid Mid (pH 6-8) 0.19 4.43 -92.07 4 4 2 48 264.417 7

Activity (Go SEA)

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