UCSF

ZINC36328391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 15 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) 1.89 3.78 -100.36 4 3 2 41 216.369 5
Hi High (pH 8-9.5) 1.89 2.33 -33.86 3 3 1 37 215.361 5
Mid Mid (pH 6-8) 1.89 4.31 -40.98 3 3 1 44 215.361 5

Activity (Go SEA)

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