UCSF

ZINC11858129

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 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) 2.79 -6.01 -21.9 1 7 0 101 408.501 4
Hi High (pH 8-9.5) 2.79 -5.55 -55.73 0 7 -1 103 407.493 4

Activity (Go SEA)

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