UCSF

ZINC44667952

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 15 Yes

CAS Number: 858671-91-7

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) 1.40 4.19 -46.07 2 4 1 46 213.301 2
Hi High (pH 8-9.5) 1.40 2.91 -5.32 1 4 0 42 212.293 2

Activity (Go SEA)

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