UCSF

ZINC34678986

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 38 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) 1.27 9.65 -24.82 1 10 0 110 518.618 12
Lo Low (pH 4.5-6) 1.27 10 -60.46 2 10 1 111 519.626 12

Activity (Go SEA)

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