UCSF

ZINC53127414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) -0.21 -1.55 -40.95 5 5 1 86 257.354 3
Hi High (pH 8-9.5) -0.21 -2.74 -10.69 4 5 0 82 256.346 3

Activity (Go SEA)

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