UCSF

ZINC31962775

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 0.35 2.15 -89.65 5 7 2 90 314.393 4
Hi High (pH 8-9.5) 0.35 1.48 -15.11 3 7 0 87 312.377 4
Mid Mid (pH 6-8) 0.35 2.45 -156.97 6 7 3 91 315.401 4

Activity (Go SEA)

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