UCSF

ZINC32099550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 13 Yes

CAS Number: 948289-20-1

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) 3.03 6.87 -5.24 0 1 0 13 191.661 0
Lo Low (pH 4.5-6) 3.03 7.12 -29.22 1 1 1 14 192.669 0

Activity (Go SEA)

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