UCSF

ZINC37824813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.11 3.97 -35.18 3 4 1 57 241.355 4
Hi High (pH 8-9.5) 1.11 2.64 -9.28 2 4 0 53 240.347 4

Activity (Go SEA)

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