UCSF

ZINC36790310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 3.33 4.12 -48.09 3 2 1 31 306.293 6
Hi High (pH 8-9.5) 3.33 3.78 -1.32 2 2 0 29 305.285 6
Lo Low (pH 4.5-6) 3.33 6.22 -129.15 4 2 2 32 307.301 6

Activity (Go SEA)

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