UCSF

ZINC32038731

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 34 No

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) 1.91 9.08 -24.31 2 11 0 138 493.453 12
Mid Mid (pH 6-8) 1.91 8.68 -56.5 3 11 1 143 494.461 12
Mid Mid (pH 6-8) 1.91 8.99 -42.65 3 11 1 143 494.461 12

Activity (Go SEA)

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