UCSF

ZINC37003712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.17 4.09 -43.33 4 4 1 66 251.35 6
Hi High (pH 8-9.5) 2.17 3.81 -7.56 3 4 0 64 250.342 6

Activity (Go SEA)

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