UCSF

ZINC35450640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 34 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) 0.72 7.82 -24.74 1 10 0 117 461.478 8
Lo Low (pH 4.5-6) 0.72 8.27 -47.3 2 10 1 119 462.486 8

Activity (Go SEA)

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