UCSF

ZINC62954000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 2.41 7.22 -112.82 3 2 2 21 212.381 3
Hi High (pH 8-9.5) 2.41 5.32 -31.78 2 2 1 20 211.373 3
Mid Mid (pH 6-8) 2.41 6.12 -29.48 2 2 1 16 211.373 3

Activity (Go SEA)

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