UCSF

ZINC38445164

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 27 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) 4.36 11.34 -41.05 2 4 0 65 367.489 6
Hi High (pH 8-9.5) 4.36 9.55 -53.26 1 4 -1 64 366.481 6

Activity (Go SEA)

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