UCSF

ZINC37825252

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.03 7.58 -107.53 3 5 2 54 283.416 8
Hi High (pH 8-9.5) 1.03 6.39 -49.1 2 5 1 50 282.408 8

Activity (Go SEA)

Rings

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