UCSF

ZINC32587028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 18 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) 1.28 6.82 -49.93 1 5 0 81 245.282 2
Hi High (pH 8-9.5) 1.28 6.52 -49.91 0 5 -1 80 244.274 2

Activity (Go SEA)

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