UCSF

ZINC35431070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 27 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) 1.53 5.64 -18.77 0 7 0 78 393.509 5
Mid Mid (pH 6-8) 1.53 7.86 -64.27 1 7 1 79 394.517 5

Activity (Go SEA)

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