UCSF

ZINC32779330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 27 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) 3.47 9.56 -48.41 2 5 1 50 365.501 4
Mid Mid (pH 6-8) 3.47 7.3 -10.68 1 5 0 48 364.493 4

Activity (Go SEA)

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