UCSF

ZINC19838420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.66 5.29 -8.18 2 3 0 49 267.206 2
Hi High (pH 8-9.5) 3.66 6.14 -47.83 1 3 -1 52 266.198 2

Activity (Go SEA)

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