UCSF

ZINC36090320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 25 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) 2.72 3.87 -16.87 1 6 0 84 384.454 4
Mid Mid (pH 6-8) 2.72 3.89 -56.29 0 6 -1 86 383.446 4

Activity (Go SEA)

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