UCSF

ZINC21790612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 No

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) 1.08 4.19 -57.94 4 5 1 63 307.443 5
Mid Mid (pH 6-8) 1.08 4.06 -57.44 4 5 1 63 307.443 5
Mid Mid (pH 6-8) 1.08 1.73 -27.78 3 5 0 62 306.435 5

Activity (Go SEA)

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