UCSF

ZINC34699078

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 4.81 12.42 -67.9 2 5 1 54 477.6 8
Mid Mid (pH 6-8) 4.81 9.91 -16.37 1 5 0 53 476.592 8

Activity (Go SEA)

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