UCSF

ZINC26146800

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 14 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) 0.99 2.7 -45.18 3 3 1 32 190.27 0
Hi High (pH 8-9.5) 0.99 1.33 -4.27 2 3 0 27 189.262 0
Mid Mid (pH 6-8) 0.99 3.48 -112.42 4 3 2 33 191.278 0

Activity (Go SEA)

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