UCSF

ZINC37205892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.03 5.48 -40.2 2 2 1 29 284.202 1
Hi High (pH 8-9.5) 3.03 4.25 -5.58 1 2 0 25 283.194 1

Activity (Go SEA)

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