UCSF

ZINC36828748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) -0.69 -2.61 -18.76 2 7 0 99 257.271 2
Hi High (pH 8-9.5) -0.23 -4.67 -51.32 1 7 -1 102 256.263 2

Activity (Go SEA)

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