UCSF

ZINC07531877

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2006 23 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) 3.15 6.14 -13.59 1 6 0 71 334.445 7
Mid Mid (pH 6-8) 3.15 6.97 -51.46 0 6 -1 74 333.437 7

Activity (Go SEA)

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