UCSF

ZINC20509580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 3.16 8.28 -46.56 3 3 1 46 294.459 11
Hi High (pH 8-9.5) 3.16 7.86 -4.29 2 3 0 44 293.451 11

Activity (Go SEA)

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