UCSF

ZINC32097918

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.32 2.82 -46.57 0 8 -1 113 393.47 5
Lo Low (pH 4.5-6) 1.32 2.75 -21.41 1 8 0 111 394.478 5

Activity (Go SEA)

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