UCSF

ZINC20053601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 0.10 0.95 -47.06 3 5 1 58 242.343 7
Hi High (pH 8-9.5) 0.10 -0.45 -10.3 2 5 0 54 241.335 7
Lo Low (pH 4.5-6) 0.10 3.29 -123.58 4 5 2 59 243.351 7

Activity (Go SEA)

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