UCSF

ZINC34984721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.00 4.57 -48.29 5 9 1 125 502.632 9
Hi High (pH 8-9.5) 2.00 2.35 -12.6 4 9 0 123 501.624 9
Mid Mid (pH 6-8) 2.00 4.87 -95.27 6 9 2 129 503.64 9

Activity (Go SEA)

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