UCSF

ZINC34983932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 3.92 8.81 -43.02 4 7 1 92 507.651 7
Hi High (pH 8-9.5) 3.92 6.55 -6.71 3 7 0 91 506.643 7
Mid Mid (pH 6-8) 3.92 9.36 -88.3 5 7 2 97 508.659 7

Activity (Go SEA)

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