UCSF

ZINC36128275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.47 0.99 -89.3 5 5 2 65 281.4 7
Mid Mid (pH 6-8) 0.47 -1.26 -48.76 4 5 1 64 280.392 7
Mid Mid (pH 6-8) 0.47 1.08 -84.01 5 5 2 65 281.4 7

Activity (Go SEA)

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