UCSF

ZINC20000883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 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) -0.67 1.17 -56.92 2 5 0 74 172.184 3
Hi High (pH 8-9.5) -0.67 -1.18 -49.01 1 5 -1 72 171.176 3

Activity (Go SEA)

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