UCSF

ZINC35179867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 13 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) -1.59 -4.53 -7.82 4 7 0 111 186.171 4
Mid Mid (pH 6-8) -1.13 -6.19 -37.17 3 7 -1 114 185.163 4

Activity (Go SEA)

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