UCSF

ZINC36874048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.76 7.3 -36.65 3 3 1 45 242.346 3
Hi High (pH 8-9.5) 2.76 5.66 -6.97 2 3 0 41 241.338 3
Lo Low (pH 4.5-6) 2.76 7.73 -107.24 4 3 2 47 243.354 3

Activity (Go SEA)

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