UCSF

ZINC36923628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) 0.11 3.62 -42.71 2 4 1 46 203.306 8
Hi High (pH 8-9.5) 0.11 2.27 -9.07 1 4 0 42 202.298 8

Activity (Go SEA)

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