UCSF

ZINC36790200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.18 6.42 -132.07 4 2 2 32 256.821 6
Hi High (pH 8-9.5) 3.18 7.2 -31.67 3 2 1 30 255.813 6
Mid Mid (pH 6-8) 3.18 5.22 -46.32 3 2 1 31 255.813 6

Activity (Go SEA)

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