UCSF

ZINC35415643

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) -1.86 4.21 -70.18 2 7 0 97 271.317 6
Hi High (pH 8-9.5) -1.86 2.92 -55.32 1 7 -1 93 270.309 6

Activity (Go SEA)

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