UCSF

ZINC32070959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 18 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) 1.14 2.35 -120.81 5 4 2 56 316.243 3
Hi High (pH 8-9.5) 1.14 0.51 -72.26 3 4 0 57 314.227 3
Mid Mid (pH 6-8) 1.14 -0.12 -49.63 4 4 1 54 315.235 3
Mid Mid (pH 6-8) 1.14 2.98 -132.07 4 4 1 58 315.235 3

Activity (Go SEA)

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