UCSF

ZINC20011713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 4.95 7.14 -8.5 2 2 0 32 283.758 3
Hi High (pH 8-9.5) 4.95 7.93 -39.05 1 2 -1 35 282.75 3

Activity (Go SEA)

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