UCSF

ZINC16268914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 30 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) 4.72 11.07 -57.29 1 7 -1 104 425.486 6
Ref Reference (pH 7) 4.72 10.65 -57.11 1 7 -1 104 425.486 6
Mid Mid (pH 6-8) 4.23 10.53 -100.08 0 7 -2 103 424.478 7

Activity (Go SEA)

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