UCSF

ZINC03197533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 18 Yes

CAS Number: 35388-57-9

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) -1.09 0.65 -127.75 3 7 -2 141 254.194 5
Lo Low (pH 4.5-6) -1.09 -1.23 -49.53 4 7 -1 138 255.202 5

Activity (Go SEA)

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