UCSF

ZINC39917158

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 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) 5.23 13.28 -42.97 1 5 1 35 435.636 8
Mid Mid (pH 6-8) 5.23 13.99 -86.8 2 5 2 36 436.644 8
Mid Mid (pH 6-8) 5.23 13.14 -38.83 1 5 1 35 435.636 8
Mid Mid (pH 6-8) 5.23 10.9 -10.7 0 5 0 34 434.628 8

Activity (Go SEA)

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