UCSF

ZINC02568388

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 23 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) 2.14 2.11 -12.43 3 7 0 100 313.313 5
Hi High (pH 8-9.5) 2.14 2.88 -55.59 2 7 -1 103 312.305 5
Lo Low (pH 4.5-6) 2.14 2.47 -36.1 4 7 1 102 314.321 5

Activity (Go SEA)

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