UCSF

ZINC62955149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.58 7.35 -118.54 4 4 2 49 280.441 3
Hi High (pH 8-9.5) 2.58 6.59 -9.16 2 4 0 47 278.425 3
Mid Mid (pH 6-8) 2.58 6.99 -55.47 3 4 1 48 279.433 3

Activity (Go SEA)

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