UCSF

ZINC32186448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 2.15 5.41 -34.25 3 4 1 55 302.394 9
Hi High (pH 8-9.5) 2.15 4.01 -7.16 2 4 0 51 301.386 9

Activity (Go SEA)

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