UCSF

ZINC32899340

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 34 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) 3.10 9 -54.33 1 8 -1 113 490.487 7
Mid Mid (pH 6-8) 2.64 10.78 -13.63 2 8 0 110 491.495 7

Activity (Go SEA)

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