UCSF

ZINC06355369

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 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) 3.48 9.43 -61.55 0 8 -1 97 468.526 12
Mid Mid (pH 6-8) 3.92 1.82 -22.84 1 8 0 94 469.534 11
Mid Mid (pH 6-8) 2.90 2.12 -16.11 0 8 0 91 469.534 12

Activity (Go SEA)

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