UCSF

ZINC69158127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 23 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) 3.04 5.6 -13.1 1 5 0 53 312.369 3
Hi High (pH 8-9.5) 3.04 5.94 -54.91 0 5 -1 56 311.361 3

Activity (Go SEA)

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