UCSF

ZINC37037989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.25 5.38 -117.8 4 5 2 66 267.373 4
Hi High (pH 8-9.5) 0.25 5 -43.31 3 5 1 64 266.365 4
Mid Mid (pH 6-8) 0.25 3.57 -50.83 3 5 1 64 266.365 4

Activity (Go SEA)

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