UCSF

ZINC34686538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.65 12.74 -19.82 1 6 0 86 460.537 8
Lo Low (pH 4.5-6) 3.65 13.2 -52.16 2 6 1 87 461.545 8

Activity (Go SEA)

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