UCSF

ZINC32010474

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 2.12 4.97 -44.34 3 2 1 37 206.309 6
Hi High (pH 8-9.5) 2.12 3.56 -4.91 2 2 0 32 205.301 6

Activity (Go SEA)

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