UCSF

ZINC36353444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 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) 3.04 4.62 -10.42 1 5 0 58 349.843 2
Ref Reference (pH 7) 2.86 7.12 -9.35 1 5 0 54 349.843 2

Activity (Go SEA)

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