UCSF

ZINC37266961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.03 7.86 -75.57 3 3 2 21 255.45 4
Lo Low (pH 4.5-6) 2.03 8.69 -172.88 4 3 3 25 256.458 4
Lo Low (pH 4.5-6) 2.03 6.3 -95.1 3 3 2 24 255.45 4

Activity (Go SEA)

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