UCSF

ZINC01569731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 Yes

CAS Number: 7801-91-4

Other Names:

MFCD00191104

QB-4359

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) -0.77 -1.13 -52.4 1 7 -1 98 279.272 7

Activity (Go SEA)

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