UCSF

ZINC37043310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.68 5.15 -91.22 4 5 0 97 288.278 4
Hi High (pH 8-9.5) 1.68 4.74 -51.55 3 5 -1 95 287.27 4

Activity (Go SEA)

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