UCSF

ZINC37841053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.08 2.91 -10.05 1 6 0 61 292.383 3
Mid Mid (pH 6-8) -0.08 5.14 -43.2 2 6 1 63 293.391 3

Activity (Go SEA)

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