UCSF

ZINC13549125

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 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) 3.01 7.29 -98.01 0 8 -2 124 406.394 5
Ref Reference (pH 7) 3.01 7.14 -97.4 0 8 -2 124 406.394 5
Lo Low (pH 4.5-6) 2.55 9.81 -51.95 1 8 -1 121 407.402 5

Activity (Go SEA)

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