UCSF

ZINC36208016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.27 4.72 -14.04 2 7 0 88 421.563 11
Mid Mid (pH 6-8) 2.27 6.77 -51.9 3 7 1 89 422.571 11

Activity (Go SEA)

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