UCSF

ZINC45698188

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.20 4.67 -97.75 3 5 2 51 259.394 7
Hi High (pH 8-9.5) 0.20 3.52 -41 2 5 1 46 258.386 7

Activity (Go SEA)

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