UCSF

ZINC21811175

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.20 2.96 -46.04 5 5 1 80 333.239 3
Hi High (pH 8-9.5) 1.20 0.83 -15.42 4 5 0 79 332.231 3

Activity (Go SEA)

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