UCSF

ZINC62954011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 1.92 3.49 -99.26 4 5 2 71 268.405 4
Hi High (pH 8-9.5) 1.92 3.25 -40.61 3 5 1 69 267.397 4

Activity (Go SEA)

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