UCSF

ZINC34698623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 4.30 13.47 -49.3 1 6 1 52 487.62 7
Mid Mid (pH 6-8) 4.30 11.56 -13.79 0 6 0 51 486.612 7

Activity (Go SEA)

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