UCSF

ZINC37510454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 19 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) 3.44 6.59 -43.64 2 3 1 42 256.373 3
Hi High (pH 8-9.5) 3.44 5.44 -6.06 1 3 0 38 255.365 3

Activity (Go SEA)

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