UCSF

ZINC31993078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 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) 0.73 4.1 -108.41 4 2 2 32 158.289 2
Hi High (pH 8-9.5) 0.73 2.12 -42.56 3 2 1 31 157.281 2
Mid Mid (pH 6-8) 0.73 3.78 -31.41 3 2 1 30 157.281 2

Activity (Go SEA)

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