UCSF

ZINC36285884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) -0.04 2.92 -13.17 1 5 0 53 241.335 4
Mid Mid (pH 6-8) -0.04 4.22 -51.32 2 5 1 57 242.343 4

Activity (Go SEA)

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