UCSF

ZINC06381562

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 27 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) 2.40 6.58 -63.49 0 6 -1 79 366.393 7
Mid Mid (pH 6-8) 2.40 -0.16 -14.74 1 6 0 76 367.401 7
Mid Mid (pH 6-8) 1.81 -0.29 -13.88 0 6 0 72 367.401 7

Activity (Go SEA)

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