UCSF

ZINC34991801

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.15 4.58 -10.18 2 4 0 65 282.343 7
Mid Mid (pH 6-8) 2.15 5.93 -53.87 3 4 1 70 283.351 7

Activity (Go SEA)

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