UCSF

ZINC58323264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 28 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) 1.27 5.19 -24.06 1 8 0 90 384.436 5
Mid Mid (pH 6-8) 1.27 7.16 -61.14 2 8 1 91 385.444 5

Activity (Go SEA)

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