UCSF

ZINC44220510

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 4.19 9.64 -49.98 0 3 -1 49 253.277 4
Lo Low (pH 4.5-6) 4.19 7.66 -7.53 1 3 0 47 254.285 4

Activity (Go SEA)

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