UCSF

ZINC32199087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 3.57 8.98 -36.65 2 2 1 16 305.442 6
Lo Low (pH 4.5-6) 3.57 10.21 -136.42 3 2 2 21 306.45 6

Activity (Go SEA)

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