UCSF

ZINC39870084

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 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) 3.96 8.64 -74.26 3 6 -1 108 366.422 4
Mid Mid (pH 6-8) 3.96 7.99 -126.11 2 6 -2 110 365.414 4

Activity (Go SEA)

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