UCSF

ZINC36616013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 26 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) 3.23 8.02 -11.39 1 6 0 73 363.808 3
Hi High (pH 8-9.5) 3.30 6.8 -41.51 0 6 -1 79 362.8 3

Activity (Go SEA)

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