UCSF

ZINC35590338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 28 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) 0.18 -0.13 -18.6 3 9 0 103 388.424 5
Mid Mid (pH 6-8) 0.18 2.14 -56.62 4 9 1 105 389.432 5

Activity (Go SEA)

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