UCSF

ZINC32214745

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) 0.48 0.22 -49.51 3 6 1 68 311.402 8
Hi High (pH 8-9.5) 0.48 -1.17 -9.66 2 6 0 63 310.394 8
Lo Low (pH 4.5-6) 0.48 1.15 -42.84 3 6 1 64 311.402 8

Activity (Go SEA)

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