UCSF

ZINC32065768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 32 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) 2.52 7.64 -48.74 2 7 1 74 459.636 10
Mid Mid (pH 6-8) 2.52 7.65 -53.46 2 7 1 74 459.636 10
Mid Mid (pH 6-8) 2.52 5.38 -14.21 1 7 0 73 458.628 10

Activity (Go SEA)

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