UCSF

ZINC49089440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 23 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) 3.87 9.6 -40.19 1 3 1 19 311.449 2
Hi High (pH 8-9.5) 3.87 7.27 -6.08 0 3 0 17 310.441 2

Activity (Go SEA)

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