UCSF

ZINC03218568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 21 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) 3.08 8.38 -15.31 1 6 0 88 303.343 3
Hi High (pH 8-9.5) 3.15 7.49 -39.87 0 6 -1 94 302.335 3
Lo Low (pH 4.5-6) 3.15 6.23 -30.36 2 6 1 93 304.351 3

Activity (Go SEA)

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