UCSF

ZINC39917610

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.98 11.99 -12.28 0 5 0 40 421.585 10
Mid Mid (pH 6-8) 4.98 14.25 -49.13 1 5 1 41 422.593 10
Mid Mid (pH 6-8) 4.98 12.28 -34.16 1 5 1 41 422.593 10
Lo Low (pH 4.5-6) 4.98 14.55 -102.95 2 5 2 42 423.601 10

Activity (Go SEA)

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