UCSF

ZINC08894887

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 32 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) 4.15 1.89 -49.67 2 6 1 71 437.56 8
Mid Mid (pH 6-8) 3.56 1.81 -59.76 1 6 1 68 437.56 8

Activity (Go SEA)

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