UCSF

ZINC37198988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 4.00 10.35 -38.85 2 2 1 26 367.694 3
Hi High (pH 8-9.5) 4.00 9.36 -4.64 1 2 0 21 366.686 3

Activity (Go SEA)

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