UCSF

ZINC03364081

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2005 19 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) 3.74 -3.51 -9.47 1 3 0 46 313.831 4
Hi High (pH 8-9.5) 3.74 -2.93 -44.41 0 3 -1 48 312.823 4

Activity (Go SEA)

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