UCSF

ZINC35609610

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) -0.26 -0.48 -8.14 3 5 0 70 267.304 3
Lo Low (pH 4.5-6) -0.26 1.81 -39.94 4 5 1 71 268.312 3

Activity (Go SEA)

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