UCSF

ZINC36941335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 2.16 7.73 -49.43 3 1 1 28 268.714 3
Hi High (pH 8-9.5) 2.16 7.39 -3.81 2 1 0 26 267.706 3

Activity (Go SEA)

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