UCSF

ZINC42176523

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 2.40 3.63 -25.21 4 3 1 52 192.286 2
Mid Mid (pH 6-8) 2.40 3.18 -4.59 3 3 0 51 191.278 2

Activity (Go SEA)

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