UCSF

ZINC44648830

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 0.51 1.22 -54.14 4 6 1 92 236.251 4
Hi High (pH 8-9.5) 0.97 -2.78 -48.82 2 6 -1 90 234.235 4
Mid Mid (pH 6-8) 0.97 -1.42 -78.1 3 6 0 95 235.243 4

Activity (Go SEA)

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