UCSF

ZINC02280354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 35 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) 3.60 6.22 -59.22 2 10 -1 134 492.537 8
Mid Mid (pH 6-8) 4.12 3.86 -18.35 3 10 0 135 493.545 8
Mid Mid (pH 6-8) 3.60 6.77 -23.03 3 10 0 132 493.545 8

Activity (Go SEA)

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