UCSF

ZINC00702308

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 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) 3.71 8.49 -41.66 1 6 -1 90 428.464 7
Mid Mid (pH 6-8) 4.15 -2.1 -28.07 2 6 0 87 429.472 6
Mid Mid (pH 6-8) 3.12 -1.86 -21.41 1 6 0 83 429.472 7

Activity (Go SEA)

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