UCSF

ZINC04970383

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 21 Yes

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) 1.71 4.12 -13.73 1 6 0 78 306.343 3
Hi High (pH 8-9.5) 1.71 4.19 -45.78 0 6 -1 80 305.335 3
Lo Low (pH 4.5-6) 1.71 4.28 -34.16 2 6 1 79 307.351 3

Activity (Go SEA)

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