UCSF

ZINC35256408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 4.04 9.12 -54.9 2 2 1 40 322.251 4
Mid Mid (pH 6-8) 4.04 8.01 -6.44 1 2 0 36 321.243 4

Activity (Go SEA)

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