UCSF

ZINC09358107

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 No

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) 6.21 13.16 -59.55 0 6 -1 79 492.636 12
Mid Mid (pH 6-8) 5.63 1.55 -19.99 0 6 0 72 493.644 12

Activity (Go SEA)

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