UCSF

ZINC30691250

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 36 No

CAS Numbers: 108687-08-7 , 108700-03-4

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) 5.11 13.82 -12.99 1 8 0 94 498.62 13
Mid Mid (pH 6-8) 5.11 15.91 -48.22 2 8 1 95 499.628 13

Activity (Go SEA)

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