UCSF

ZINC37505298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 12 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) 1.59 4.61 -37.81 2 2 1 29 185.316 4
Hi High (pH 8-9.5) 1.59 3.56 -3.95 1 2 0 25 184.308 4

Activity (Go SEA)

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