UCSF

ZINC20214763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 Yes

CAS Number:

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) 5.51 14.7 -15.22 1 6 0 73 493.702 8
Hi High (pH 8-9.5) 5.69 13.63 -48.14 0 6 -1 79 492.694 8
Lo Low (pH 4.5-6) 5.51 14.8 -43.22 2 6 1 74 494.71 8

Activity (Go SEA)

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