UCSF

ZINC36153422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.93 10.23 -46.83 2 4 1 46 367.513 4
Hi High (pH 8-9.5) 2.93 8.85 -11.95 1 4 0 42 366.505 4

Activity (Go SEA)

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