UCSF

ZINC34983855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) 2.75 5.34 -45.89 3 7 1 81 431.553 6
Hi High (pH 8-9.5) 2.75 3.09 -9.64 2 7 0 80 430.545 6
Mid Mid (pH 6-8) 2.75 6.52 -96.02 4 7 2 86 432.561 6

Activity (Go SEA)

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