UCSF

ZINC32021871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -1.11 1.65 -53.38 2 5 1 57 240.327 2
Hi High (pH 8-9.5) -1.11 0.31 -10.2 1 5 0 53 239.319 2
Mid Mid (pH 6-8) -1.11 3.86 -109.19 3 5 2 58 241.335 2

Activity (Go SEA)

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