UCSF

ZINC03590967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 12 Yes

CAS Numbers: 27963-98-0 , [27963-98-0]

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) -1.04 -10.01 -39.08 5 6 1 99 175.164 1
Hi High (pH 8-9.5) -0.91 -10.55 -15.32 4 6 0 95 174.156 1

Activity (Go SEA)

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