UCSF

ZINC36125596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 1.32 2.46 -7.33 0 5 0 44 263.407 4
Mid Mid (pH 6-8) 1.32 4.07 -41.29 1 5 1 45 264.415 4

Activity (Go SEA)

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