UCSF

ZINC37292624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.58 6.01 -35.74 2 4 1 42 283.399 3
Lo Low (pH 4.5-6) 2.58 5.03 -43.98 2 4 1 46 283.399 3
Lo Low (pH 4.5-6) 2.58 7.28 -115.99 3 4 2 47 284.407 3

Activity (Go SEA)

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