UCSF

ZINC36103028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 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) 2.66 6.69 -45.99 2 5 1 54 374.53 7
Mid Mid (pH 6-8) 2.66 6.53 -45.68 2 5 1 54 374.53 7
Mid Mid (pH 6-8) 2.66 4.42 -9.68 1 5 0 53 373.522 7

Activity (Go SEA)

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