UCSF

ZINC36158726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 3.20 8.22 -52.64 3 6 1 80 408.588 10
Hi High (pH 8-9.5) 3.65 5.64 -42.86 2 6 0 83 407.58 10
Hi High (pH 8-9.5) 3.20 6.03 -12.86 2 6 0 78 407.58 10

Activity (Go SEA)

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