UCSF

ZINC01100525

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 4.69 0.6 -14.71 1 6 0 79 457.507 7
Mid Mid (pH 6-8) 4.10 0.47 -21.7 0 6 0 76 457.507 7

Activity (Go SEA)

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