UCSF

ZINC36991621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.66 11.61 -43.48 2 1 1 17 363.344 4
Hi High (pH 8-9.5) 3.66 10.12 -3.13 1 1 0 12 362.336 4

Activity (Go SEA)

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