UCSF

ZINC06493981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 21 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) 2.13 4.99 -59.48 1 4 -1 69 278.287 3
Mid Mid (pH 6-8) 2.58 -1.68 -17.36 2 4 0 66 279.295 2
Mid Mid (pH 6-8) 1.55 -2.21 -9.99 1 4 0 63 279.295 3

Activity (Go SEA)

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