UCSF

ZINC34984841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 No

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) 3.53 8.94 -42.14 3 7 1 81 505.701 9
Hi High (pH 8-9.5) 3.53 6.7 -7.08 2 7 0 80 504.693 9
Mid Mid (pH 6-8) 3.53 9.26 -87.94 4 7 2 86 506.709 9

Activity (Go SEA)

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