UCSF

ZINC36155605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 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) 4.55 9.04 -10.12 2 7 0 80 449.551 8
Mid Mid (pH 6-8) 4.55 11.39 -47.59 3 7 1 81 450.559 8

Activity (Go SEA)

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