UCSF

ZINC36138358

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 0.27 3.98 -46.16 0 5 -1 64 267.227 5
Lo Low (pH 4.5-6) 0.27 6.05 -71.47 1 5 0 65 268.235 5
Lo Low (pH 4.5-6) 0.27 2 -10.2 1 5 0 61 268.235 5

Activity (Go SEA)

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