UCSF

ZINC36318853

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.12 7.21 -12.51 1 4 0 47 361.239 4
Lo Low (pH 4.5-6) 4.12 7.73 -25.5 2 4 1 48 362.247 4

Activity (Go SEA)

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