UCSF

ZINC26173415

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 27 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) 3.64 10.17 -44.51 2 5 1 40 367.517 6
Hi High (pH 8-9.5) 3.64 7.63 -10.42 1 5 0 39 366.509 6
Mid Mid (pH 6-8) 3.64 11.83 -96.18 3 5 2 41 368.525 6

Activity (Go SEA)

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