UCSF

ZINC46168012

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2010 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) 4.03 6.88 -7.29 0 5 0 34 370.493 10
Mid Mid (pH 6-8) 4.03 9.16 -38.53 1 5 1 35 371.501 10
Mid Mid (pH 6-8) 4.03 9.13 -39.18 1 5 1 35 371.501 10

Activity (Go SEA)

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