UCSF

ZINC31993076

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) 1.05 4.12 -109.41 4 2 2 32 158.289 3
Hi High (pH 8-9.5) 1.05 1.84 -42.51 3 2 1 31 157.281 3
Mid Mid (pH 6-8) 1.05 3.8 -32.88 3 2 1 30 157.281 3

Activity (Go SEA)

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