UCSF

ZINC62954004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 0.88 5.99 -99.99 3 4 2 41 255.406 3
Hi High (pH 8-9.5) 0.88 2.52 -7.51 1 4 0 36 253.39 3
Mid Mid (pH 6-8) 0.88 4.7 -37.76 2 4 1 37 254.398 3

Activity (Go SEA)

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