UCSF

ZINC36770078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.96 7.08 -42.83 2 3 1 29 267.368 4
Hi High (pH 8-9.5) 2.96 5.9 -4.47 1 3 0 24 266.36 4

Activity (Go SEA)

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