UCSF

ZINC32233019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.30 9.43 -36.04 2 4 1 35 315.437 8
Hi High (pH 8-9.5) 3.30 6.84 -7.3 1 4 0 34 314.429 8

Activity (Go SEA)

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