UCSF

ZINC34686824

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 4.38 12.02 -17.4 1 7 0 85 509.606 8
Lo Low (pH 4.5-6) 4.38 12.68 -47.36 2 7 1 86 510.614 8

Activity (Go SEA)

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