UCSF

ZINC37995376

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) 1.16 6.92 -50.12 1 4 0 54 217.309 9
Hi High (pH 8-9.5) 1.16 4.93 -45.51 0 4 -1 53 216.301 9

Activity (Go SEA)

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